2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid

C14H10ClFO3 — CID 53227485

IUPAC2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
SMILESCOc1ccc(Cl)c(-c2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-9-3-5-13(15)11(7-9)10-4-2-8(16)6-12(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyKESGJZRKEJKRLH-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.85
Rot. Bonds3

About 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid

2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid (PubChem CID 53227485) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
PubChem CID53227485
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
SMILESCOc1ccc(Cl)c(-c2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-9-3-5-13(15)11(7-9)10-4-2-8(16)6-12(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyKESGJZRKEJKRLH-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic 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

2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647048
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-(2-chloro-5-methoxyphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679847
2-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212951
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044
2-(2-chloro-5-methoxyphenyl)-4-nitrobenzoic acid
CID 53227505

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid?
The IUPAC name of 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid (CID 53227485) is 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid?
The canonical SMILES for 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid is COc1ccc(Cl)c(-c2ccc(F)cc2C(=O)O)c1.
What is the InChIKey of 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid?
The InChIKey is KESGJZRKEJKRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-9-3-5-13(15)11(7-9)10-4-2-8(16)6-12(10)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid?
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid has a molecular weight of 280.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid is sourced from PubChem (CID 53227485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).