2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid

C14H10ClFO2 — CID 53226778

IUPAC2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
SMILESCc1cc(-c2cccc(F)c2C(=O)O)ccc1Cl
InChIInChI=1S/C14H10ClFO2/c1-8-7-9(5-6-11(8)15)10-3-2-4-12(16)13(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyAKRADEMYSXREPN-UHFFFAOYSA-N
MW264.68 g/mol
LogP4.15
Rot. Bonds2

About 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid

2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid (PubChem CID 53226778) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
PubChem CID53226778
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
SMILESCc1cc(-c2cccc(F)c2C(=O)O)ccc1Cl
InChIInChI=1S/C14H10ClFO2/c1-8-7-9(5-6-11(8)15)10-3-2-4-12(16)13(10)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyAKRADEMYSXREPN-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

2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
1-(4-chloro-3-methylphenyl)-2,3-difluoro-4-(2-fluorophenyl)benzene
CID 54264737
2-chloro-4-(3-fluoro-2-methylphenyl)benzoic acid
CID 53225530
2-fluoro-6-methylbenzoic acid
CID 13478132
2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid (CID 53226778) is 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid is Cc1cc(-c2cccc(F)c2C(=O)O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid?
The InChIKey is AKRADEMYSXREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c1-8-7-9(5-6-11(8)15)10-3-2-4-12(16)13(10)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid?
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic 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-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid is sourced from PubChem (CID 53226778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).