5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid

C15H12F2O2 — CID 172914042

IUPAC5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
SMILESCc1cc(-c2cccc(C)c2F)c(C(=O)O)cc1F
InChIInChI=1S/C15H12F2O2/c1-8-4-3-5-10(14(8)17)11-6-9(2)13(16)7-12(11)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeySMFNVEICILPLIB-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.95
Rot. Bonds2

About 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid

5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid (PubChem CID 172914042) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
PubChem CID172914042
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
SMILESCc1cc(-c2cccc(C)c2F)c(C(=O)O)cc1F
InChIInChI=1S/C15H12F2O2/c1-8-4-3-5-10(14(8)17)11-6-9(2)13(16)7-12(11)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeySMFNVEICILPLIB-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

3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
CID 107957745
2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
CID 118807060
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
3-(2,4-difluoro-5-methylphenyl)-2-methylbenzoic acid
CID 79731849
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
2-(2,3-difluorophenyl)-5-methylbenzoic acid
CID 53225918
3-(2-chloro-4,5-dimethylphenyl)-2-fluorobenzoic acid
CID 107957755
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
2-(2-fluoro-3-methylphenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81479496
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid?
The IUPAC name of 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid (CID 172914042) is 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid?
The canonical SMILES for 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid is Cc1cc(-c2cccc(C)c2F)c(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid?
The InChIKey is SMFNVEICILPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-8-4-3-5-10(14(8)17)11-6-9(2)13(16)7-12(11)15(18)19/h3-7H,1-2H3,(H,18,19).
What are the key properties of 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid?
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic 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 5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 172914042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).