(2-ethenylphenyl)phosphonic acid

C8H9O3P — CID 15930821

IUPAC(2-ethenylphenyl)phosphonic acid
SMILESC=Cc1ccccc1P(=O)(O)O
InChIInChI=1S/C8H9O3P/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2,(H2,9,10,11)
InChIKeyOVQLKUACUJJQGA-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.13
Rot. Bonds2

About (2-ethenylphenyl)phosphonic acid

(2-ethenylphenyl)phosphonic acid (PubChem CID 15930821) has the molecular formula C8H9O3P and a molecular weight of 184.13 g/mol. Its IUPAC name is (2-ethenylphenyl)phosphonic acid.

Molecular Properties

Compound Name(2-ethenylphenyl)phosphonic acid
PubChem CID15930821
Molecular FormulaC8H9O3P
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name(2-ethenylphenyl)phosphonic acid
SMILESC=Cc1ccccc1P(=O)(O)O
InChIInChI=1S/C8H9O3P/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2,(H2,9,10,11)
InChIKeyOVQLKUACUJJQGA-UHFFFAOYSA-N
XLogP1.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-ethenylphenyl)phosphonic acid?
The IUPAC name of (2-ethenylphenyl)phosphonic acid (CID 15930821) is (2-ethenylphenyl)phosphonic acid.
What is the SMILES notation for (2-ethenylphenyl)phosphonic acid?
The canonical SMILES for (2-ethenylphenyl)phosphonic acid is C=Cc1ccccc1P(=O)(O)O.
What is the InChIKey of (2-ethenylphenyl)phosphonic acid?
The InChIKey is OVQLKUACUJJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3P/c1-2-7-5-3-4-6-8(7)12(9,10)11/h2-6H,1H2,(H2,9,10,11).
What are the key properties of (2-ethenylphenyl)phosphonic acid?
(2-ethenylphenyl)phosphonic acid has a molecular weight of 184.13 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylphenyl)phosphonic acid is sourced from PubChem (CID 15930821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).