4-(3-formylphenyl)benzoic acid

C14H10O3 — CID 2794720

IUPAC4-(3-formylphenyl)benzoic acid
SMILESO=Cc1cccc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H10O3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-9H,(H,16,17)
InChIKeyZIJAWDBNCZHVRY-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.86
Rot. Bonds3

About 4-(3-formylphenyl)benzoic acid

4-(3-formylphenyl)benzoic acid (PubChem CID 2794720) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(3-formylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(3-formylphenyl)benzoic acid
PubChem CID2794720
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name4-(3-formylphenyl)benzoic acid
SMILESO=Cc1cccc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H10O3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-9H,(H,16,17)
InChIKeyZIJAWDBNCZHVRY-UHFFFAOYSA-N
XLogP2.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-formylphenyl)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-(3-formylphenyl)benzoic acid?
The IUPAC name of 4-(3-formylphenyl)benzoic acid (CID 2794720) is 4-(3-formylphenyl)benzoic acid.
What is the SMILES notation for 4-(3-formylphenyl)benzoic acid?
The canonical SMILES for 4-(3-formylphenyl)benzoic acid is O=Cc1cccc(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(3-formylphenyl)benzoic acid?
The InChIKey is ZIJAWDBNCZHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-9H,(H,16,17).
What are the key properties of 4-(3-formylphenyl)benzoic acid?
4-(3-formylphenyl)benzoic acid has a molecular weight of 226.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-formylphenyl)benzoic acid is sourced from PubChem (CID 2794720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).