4-(2-methoxyphenyl)benzoic acid

C14H12O3 — CID 2759548

IUPAC4-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12O3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyYQLGXBYAHYGABI-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.06
Rot. Bonds3

About 4-(2-methoxyphenyl)benzoic acid

4-(2-methoxyphenyl)benzoic acid (PubChem CID 2759548) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)benzoic acid
PubChem CID2759548
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12O3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKeyYQLGXBYAHYGABI-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methoxyphenyl)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-methoxyphenyl)benzoic acid?
The IUPAC name of 4-(2-methoxyphenyl)benzoic acid (CID 2759548) is 4-(2-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-(2-methoxyphenyl)benzoic acid is COc1ccccc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)benzoic acid?
The InChIKey is YQLGXBYAHYGABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3,(H,15,16).
What are the key properties of 4-(2-methoxyphenyl)benzoic acid?
4-(2-methoxyphenyl)benzoic acid has a molecular weight of 228.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)benzoic acid is sourced from PubChem (CID 2759548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).