2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid

C15H13FO3 — CID 54912716

IUPAC2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(F)cc2C)c(C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-9-7-10(16)3-5-12(9)13-6-4-11(19-2)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyXTGDKRGRDQGXDK-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid

2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid (PubChem CID 54912716) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
PubChem CID54912716
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(F)cc2C)c(C(=O)O)c1
InChIInChI=1S/C15H13FO3/c1-9-7-10(16)3-5-12(9)13-6-4-11(19-2)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyXTGDKRGRDQGXDK-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic 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

4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
2-[(4-fluoro-2-methylphenyl)methoxy]-5-methoxybenzoic acid
CID 114345678
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid (CID 54912716) is 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid is COc1ccc(-c2ccc(F)cc2C)c(C(=O)O)c1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid?
The InChIKey is XTGDKRGRDQGXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-9-7-10(16)3-5-12(9)13-6-4-11(19-2)8-14(13)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid?
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 54912716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).