3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid

C16H16O3 — CID 81476317

IUPAC3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)ccc2C)c(C)c1
InChIInChI=1S/C16H16O3/c1-10-4-5-12(16(17)18)9-15(10)14-7-6-13(19-3)8-11(14)2/h4-9H,1-3H3,(H,17,18)
InChIKeyIPICYHUEWPLFRR-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.68
Rot. Bonds3

About 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid

3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid (PubChem CID 81476317) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
PubChem CID81476317
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
SMILESCOc1ccc(-c2cc(C(=O)O)ccc2C)c(C)c1
InChIInChI=1S/C16H16O3/c1-10-4-5-12(16(17)18)9-15(10)14-7-6-13(19-3)8-11(14)2/h4-9H,1-3H3,(H,17,18)
InChIKeyIPICYHUEWPLFRR-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic 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 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid (CID 81476317) is 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid is COc1ccc(-c2cc(C(=O)O)ccc2C)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid?
The InChIKey is IPICYHUEWPLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-10-4-5-12(16(17)18)9-15(10)14-7-6-13(19-3)8-11(14)2/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid?
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 81476317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).