3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid

C16H16O4 — CID 116810858

IUPAC3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
SMILESCOc1cccc(OC)c1-c1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-10-7-11(9-12(8-10)16(17)18)15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyJEKNQGMVYZJZPR-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds4

About 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid

3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid (PubChem CID 116810858) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
PubChem CID116810858
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
SMILESCOc1cccc(OC)c1-c1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-10-7-11(9-12(8-10)16(17)18)15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyJEKNQGMVYZJZPR-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethoxyphenyl)-5-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

Related Compounds

3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
3-methoxy-2-(4-methylphenyl)benzoic acid
CID 22418016
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
6-methylazulene-2-carboxylic acid
CID 57055895
4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
CID 102584485
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
CID 58299502
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
3-(2-methoxyphenyl)benzoic acid
CID 2759547
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid (CID 116810858) is 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid is COc1cccc(OC)c1-c1cc(C)cc(C(=O)O)c1.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid?
The InChIKey is JEKNQGMVYZJZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-7-11(9-12(8-10)16(17)18)15-13(19-2)5-4-6-14(15)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid?
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid is sourced from PubChem (CID 116810858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).