2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid

C14H10ClFO3 — CID 53226527

IUPAC2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(F)c(-c2cccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-8-5-6-12(16)10(7-8)9-3-2-4-11(15)13(9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyYBBMDURIXFRFFH-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid

2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid (PubChem CID 53226527) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
PubChem CID53226527
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(F)c(-c2cccc(Cl)c2C(=O)O)c1
InChIInChI=1S/C14H10ClFO3/c1-19-8-5-6-12(16)10(7-8)9-3-2-4-11(15)13(9)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyYBBMDURIXFRFFH-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

(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
3-(2-fluoro-4-methoxyphenyl)-2-methylbenzoic acid
CID 53226480
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid?
The IUPAC name of 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid (CID 53226527) is 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid is COc1ccc(F)c(-c2cccc(Cl)c2C(=O)O)c1.
What is the InChIKey of 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid?
The InChIKey is YBBMDURIXFRFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-19-8-5-6-12(16)10(7-8)9-3-2-4-11(15)13(9)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid?
2-chloro-6-(2-fluoro-5-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 2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53226527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).