3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid

C14H10ClFO3 — CID 53226601

IUPAC3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
SMILESCOc1ccc(F)cc1-c1cc(Cl)cc(C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-13-3-2-11(16)7-12(13)8-4-9(14(17)18)6-10(15)5-8/h2-7H,1H3,(H,17,18)
InChIKeyQUEADJXVNFHVBY-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.85
Rot. Bonds3

About 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid

3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid (PubChem CID 53226601) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
PubChem CID53226601
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
SMILESCOc1ccc(F)cc1-c1cc(Cl)cc(C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-13-3-2-11(16)7-12(13)8-4-9(14(17)18)6-10(15)5-8/h2-7H,1H3,(H,17,18)
InChIKeyQUEADJXVNFHVBY-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

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Related Compounds

3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
CID 82039120
5-(5-chloro-2-methoxyphenyl)pyridine-3-carboxylic acid
CID 52984128
3-[3-chloro-5-(5-fluoro-2-methoxyphenyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
CID 121225063
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid?
The IUPAC name of 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid (CID 53226601) is 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid is COc1ccc(F)cc1-c1cc(Cl)cc(C(=O)O)c1.
What is the InChIKey of 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid?
The InChIKey is QUEADJXVNFHVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-13-3-2-11(16)7-12(13)8-4-9(14(17)18)6-10(15)5-8/h2-7H,1H3,(H,17,18).
What are the key properties of 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid?
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic 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 3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53226601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).