4-(2-oxo-2-phenylacetyl)benzoic acid

C15H10O4 — CID 2385968

IUPAC4-(2-oxo-2-phenylacetyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
InChIKeyMWJHDSAAGSURCA-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.45
Rot. Bonds4

About 4-(2-oxo-2-phenylacetyl)benzoic acid

4-(2-oxo-2-phenylacetyl)benzoic acid (PubChem CID 2385968) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-(2-oxo-2-phenylacetyl)benzoic acid.

Molecular Properties

Compound Name4-(2-oxo-2-phenylacetyl)benzoic acid
PubChem CID2385968
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name4-(2-oxo-2-phenylacetyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
InChIKeyMWJHDSAAGSURCA-UHFFFAOYSA-N
XLogP2.45
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(2-oxo-2-phenylacetyl)benzoic 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 4-(2-oxo-2-phenylacetyl)benzoic acid?
The IUPAC name of 4-(2-oxo-2-phenylacetyl)benzoic acid (CID 2385968) is 4-(2-oxo-2-phenylacetyl)benzoic acid.
What is the SMILES notation for 4-(2-oxo-2-phenylacetyl)benzoic acid?
The canonical SMILES for 4-(2-oxo-2-phenylacetyl)benzoic acid is O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(2-oxo-2-phenylacetyl)benzoic acid?
The InChIKey is MWJHDSAAGSURCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19).
What are the key properties of 4-(2-oxo-2-phenylacetyl)benzoic acid?
4-(2-oxo-2-phenylacetyl)benzoic acid has a molecular weight of 254.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-phenylacetyl)benzoic acid is sourced from PubChem (CID 2385968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).