4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid

C15H12F2O2 — CID 172876917

IUPAC4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
SMILESCc1cc(-c2cc(F)ccc2F)cc(C)c1C(=O)O
InChIInChI=1S/C15H12F2O2/c1-8-5-10(6-9(2)14(8)15(18)19)12-7-11(16)3-4-13(12)17/h3-7H,1-2H3,(H,18,19)
InChIKeyNQPVRHWXZPVOIE-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.95
Rot. Bonds2

About 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid

4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid (PubChem CID 172876917) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
PubChem CID172876917
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid
SMILESCc1cc(-c2cc(F)ccc2F)cc(C)c1C(=O)O
InChIInChI=1S/C15H12F2O2/c1-8-5-10(6-9(2)14(8)15(18)19)12-7-11(16)3-4-13(12)17/h3-7H,1-2H3,(H,18,19)
InChIKeyNQPVRHWXZPVOIE-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(4-fluorophenyl)-6-methylbenzoic acid
CID 162534075
4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
CID 162534074
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
2,4-difluoro-6-methylbenzoic acid
CID 119005612
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
2-fluoro-4-(5-fluoro-2-methylphenyl)benzoic acid
CID 53211117
5-(2,5-difluorophenyl)-3-methylpyridin-2-amine
CID 83170402
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813
2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
CID 176514272
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid?
The IUPAC name of 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid (CID 172876917) is 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid?
The canonical SMILES for 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid is Cc1cc(-c2cc(F)ccc2F)cc(C)c1C(=O)O.
What is the InChIKey of 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid?
The InChIKey is NQPVRHWXZPVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-8-5-10(6-9(2)14(8)15(18)19)12-7-11(16)3-4-13(12)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid?
4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid has a molecular weight of 262.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2,6-dimethylbenzoic acid is sourced from PubChem (CID 172876917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).