4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid

C16H16O4 — CID 53227204

IUPAC4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2C)c(OC)c1
InChIInChI=1S/C16H16O4/c1-10-8-11(16(17)18)4-6-13(10)14-7-5-12(19-2)9-15(14)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyZKNQZQNFXKPEDK-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.38
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid

4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid (PubChem CID 53227204) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
PubChem CID53227204
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2C)c(OC)c1
InChIInChI=1S/C16H16O4/c1-10-8-11(16(17)18)4-6-13(10)14-7-5-12(19-2)9-15(14)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyZKNQZQNFXKPEDK-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

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Related Compounds

4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357024
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid
CID 163301267

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid (CID 53227204) is 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2C)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid?
The InChIKey is ZKNQZQNFXKPEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10-8-11(16(17)18)4-6-13(10)14-7-5-12(19-2)9-15(14)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid?
4-(2,4-dimethoxyphenyl)-3-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 4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid is sourced from PubChem (CID 53227204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).