ChemFOnt: Showing chemical card for Phenylphosphonic acid (CFc000235968)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 02:08:06 UTC

Chemfont ID

CFc000235968

Molecule Identification

Common Name

Phenylphosphonic acid

Definition

phenylphosphonic acid belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Based on a literature review very few articles have been published on phenylphosphonic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Phenylphosphonate	Generator
Phenyl-phosphonic acid	ChEMBL
Phenyl-phosphonate	Generator
Phenylphosphonic acid, dysposium (3+) salt	MeSH
Phenylphosphonic acid, erbium (3+) salt (3:2), dihydrate	MeSH
Phenylphosphonic acid, monolead (2+) salt	MeSH
Phenylphosphonic acid, neodymium (3+) salt (3:2), monohydrate	MeSH
Phenylphosphonic acid, samarium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, sodium salt	MeSH
Phenylphosphonic acid, aluminum salt	MeSH
Phenylphosphonic acid, copper salt	MeSH
Phenylphosphonic acid, monocalcium salt	MeSH
Phenylphosphonic acid, monomagnesium salt	MeSH
Phenylphosphonic acid, potassium salt	MeSH
Phenylphosphonic acid, ytterbium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, calcium salt	MeSH
Phenylphosphonic acid, holmium (3+) salt (3:2)	MeSH
Benzenephosphonic acid	MeSH
Phenylphosphonic acid, disodium salt	MeSH
Phenylphosphonic acid, magnesium salt	MeSH
Phenylphosphonic acid, neodymium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, gadolinium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, lutetium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, thulium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, dipotassium salt	MeSH
Phenylphosphonic acid, erbium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, europium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, praseodymium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, cerium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, lanthanum (3+) salt (3:2)	MeSH
Phenylphosphonic acid, monosodium salt	MeSH
Phenylphosphonic acid, zinc salt	MeSH
Phenylphosphonic acid, dysposium (3+) salt (3:2), dihydrate	MeSH
Phenylphosphonic acid, praseodymium (3+) salt (3:2), dihydrate	MeSH
Phenylphosphonic acid, samarium (3+) salt (3:2), dihydrate	MeSH
Phenylphosphonic acid, terbium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, yttrium (3+) salt (3:2)	MeSH
Phenylphosphonic acid, zirconium (1+) salt (2:1)	MeSH

Chemical Formula

C₆H₇O₃P

Average Molecular Weight

158.093

Monoisotopic Molecular Weight

158.013281083

IUPAC Name

phenylphosphonic acid

Traditional Name

phenylphosphonic acid

CAS Registry Number

Not Available

SMILES

OP(O)(=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

InChI Key

QLZHNIAADXEJJP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Not Available

Direct Parent

Benzene and substituted derivatives

Alternative Parents

Substituents

Monocyclic benzene moiety
Organophosphonic acid derivative
Organophosphonic acid
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organophosphorus compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	10.3 g/L	ALOGPS
logP	0.22	ALOGPS
logP	0.48	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.85	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	37.25 m³·mol⁻¹	ChemAxon
Polarizability	13.48 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0256444

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

14560

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Phenylphosphonic acid (CFc000235968)

MOL for CFc000235968 (Phenylphosphonic acid)

3D MOL for CFc000235968 (Phenylphosphonic acid)

3D SDF for CFc000235968 (Phenylphosphonic acid)

3D-SDF for CFc000235968 (Phenylphosphonic acid)

PDB for CFc000235968 (Phenylphosphonic acid)

3D PDB for CFc000235968 (Phenylphosphonic acid)

SMILES for CFc000235968 (Phenylphosphonic acid)

INCHI for CFc000235968 (Phenylphosphonic acid)

Structure for CFc000235968 (Phenylphosphonic acid)

3D Structure for CFc000235968 (Phenylphosphonic acid)