phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid

C16H13O4P — CID 70387152

IUPACphenyl-(2-prop-2-enoylbenzoyl)phosphinic acid
SMILESC=CC(=O)c1ccccc1C(=O)P(=O)(O)c1ccccc1
InChIInChI=1S/C16H13O4P/c1-2-15(17)13-10-6-7-11-14(13)16(18)21(19,20)12-8-4-3-5-9-12/h2-11H,1H2,(H,19,20)
InChIKeyHJBWNSJVICXPJP-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.79
Rot. Bonds5

About phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid

phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid (PubChem CID 70387152) has the molecular formula C16H13O4P and a molecular weight of 300.25 g/mol. Its IUPAC name is phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid.

Molecular Properties

Compound Namephenyl-(2-prop-2-enoylbenzoyl)phosphinic acid
PubChem CID70387152
Molecular FormulaC16H13O4P
Molecular Weight300.25 g/mol
Exact Mass300.06
IUPAC Namephenyl-(2-prop-2-enoylbenzoyl)phosphinic acid
SMILESC=CC(=O)c1ccccc1C(=O)P(=O)(O)c1ccccc1
InChIInChI=1S/C16H13O4P/c1-2-15(17)13-10-6-7-11-14(13)16(18)21(19,20)12-8-4-3-5-9-12/h2-11H,1H2,(H,19,20)
InChIKeyHJBWNSJVICXPJP-UHFFFAOYSA-N
XLogP2.79
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid?
The IUPAC name of phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid (CID 70387152) is phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid.
What is the SMILES notation for phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid?
The canonical SMILES for phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid is C=CC(=O)c1ccccc1C(=O)P(=O)(O)c1ccccc1.
What is the InChIKey of phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid?
The InChIKey is HJBWNSJVICXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O4P/c1-2-15(17)13-10-6-7-11-14(13)16(18)21(19,20)12-8-4-3-5-9-12/h2-11H,1H2,(H,19,20).
What are the key properties of phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid?
phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid has a molecular weight of 300.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-prop-2-enoylbenzoyl)phosphinic acid is sourced from PubChem (CID 70387152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).