2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid

C14H10ClFO2 — CID 53225530

IUPAC2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
SMILESCc1c(F)cccc1-c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-8-10(3-2-4-13(8)16)9-5-6-11(14(17)18)12(15)7-9/h2-7H,1H3,(H,17,18)
InChIKeyAZHZGTANGLPRRN-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid

2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid (PubChem CID 53225530) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
PubChem CID53225530
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
SMILESCc1c(F)cccc1-c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c1-8-10(3-2-4-13(8)16)9-5-6-11(14(17)18)12(15)7-9/h2-7H,1H3,(H,17,18)
InChIKeyAZHZGTANGLPRRN-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
methyl 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
2-chloro-4-phenylbenzoic acid
CID 21487426
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225722
2-chloro-4-(3-methylsulfanylphenyl)benzoic acid
CID 53226407
3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
CID 67230127
4-(2-fluorophenyl)phthalic acid
CID 71119653
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid?
The IUPAC name of 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid (CID 53225530) is 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid is Cc1c(F)cccc1-c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid?
The InChIKey is AZHZGTANGLPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-8-10(3-2-4-13(8)16)9-5-6-11(14(17)18)12(15)7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid?
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid has a molecular weight of 264.68 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid is sourced from PubChem (CID 53225530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).