phenylphosphonic acid

C6H7O3P — CID 15295

IUPACphenylphosphonic acid
SMILESO=P(O)(O)c1ccccc1
InChIInChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyQLZHNIAADXEJJP-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.49
Rot. Bonds1

About phenylphosphonic acid

phenylphosphonic acid (PubChem CID 15295) has the molecular formula C6H7O3P and a molecular weight of 158.09 g/mol. Its IUPAC name is phenylphosphonic acid.

Molecular Properties

Compound Namephenylphosphonic acid
PubChem CID15295
Molecular FormulaC6H7O3P
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Namephenylphosphonic acid
SMILESO=P(O)(O)c1ccccc1
InChIInChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyQLZHNIAADXEJJP-UHFFFAOYSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phenylphosphonic dichloride
CID 69990
Benzeneseleninic acid
CID 23427
Benzylphosphonic Acid
CID 81312
Diphenylphosphinic acid
CID 15567
Phosphonic acid, phenyl-, diethyl ester
CID 15642
Phenylphosphinic acid
CID 72903
2-Mercaptophenylphosphonic acid
CID 15738646
Phosphonic acid, phenyl-, dimethyl ester
CID 75234
P-(4-Chlorophenyl)phosphonic acid
CID 79484
Sodium phenylphosphinate
CID 6364990
Phenylstibonic Acid
CID 299579
Phosphinic acid, P-(4-methylphenyl)-
CID 6335377

Frequently Asked Questions

What is the IUPAC name of phenylphosphonic acid?
The IUPAC name of phenylphosphonic acid (CID 15295) is phenylphosphonic acid.
What is the SMILES notation for phenylphosphonic acid?
The canonical SMILES for phenylphosphonic acid is O=P(O)(O)c1ccccc1.
What is the InChIKey of phenylphosphonic acid?
The InChIKey is QLZHNIAADXEJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9).
What are the key properties of phenylphosphonic acid?
phenylphosphonic acid has a molecular weight of 158.09 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphonic acid is sourced from PubChem (CID 15295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).