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

C15H14O3 — CID 22418016

IUPAC3-methoxy-2-(4-methylphenyl)benzoic acid
SMILESCOc1cccc(C(=O)O)c1-c1ccc(C)cc1
InChIInChI=1S/C15H14O3/c1-10-6-8-11(9-7-10)14-12(15(16)17)4-3-5-13(14)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyQEUSIWJLEVXXSP-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.37
Rot. Bonds3

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

3-methoxy-2-(4-methylphenyl)benzoic acid (PubChem CID 22418016) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-methoxy-2-(4-methylphenyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-methylphenyl)benzoic acid
PubChem CID22418016
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name3-methoxy-2-(4-methylphenyl)benzoic acid
SMILESCOc1cccc(C(=O)O)c1-c1ccc(C)cc1
InChIInChI=1S/C15H14O3/c1-10-6-8-11(9-7-10)14-12(15(16)17)4-3-5-13(14)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyQEUSIWJLEVXXSP-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-(3-methoxyphenyl)benzoic acid
CID 19594928
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512
2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
CID 123626157
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
3-amino-2-(4-methylphenyl)benzoic acid
CID 165495332
3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
3-methoxy-2-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 20991667
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methylphenyl)benzoic acid?
The IUPAC name of 3-methoxy-2-(4-methylphenyl)benzoic acid (CID 22418016) is 3-methoxy-2-(4-methylphenyl)benzoic acid.
What is the SMILES notation for 3-methoxy-2-(4-methylphenyl)benzoic acid?
The canonical SMILES for 3-methoxy-2-(4-methylphenyl)benzoic acid is COc1cccc(C(=O)O)c1-c1ccc(C)cc1.
What is the InChIKey of 3-methoxy-2-(4-methylphenyl)benzoic acid?
The InChIKey is QEUSIWJLEVXXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-6-8-11(9-7-10)14-12(15(16)17)4-3-5-13(14)18-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-2-(4-methylphenyl)benzoic acid?
3-methoxy-2-(4-methylphenyl)benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methylphenyl)benzoic acid is sourced from PubChem (CID 22418016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).