5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid

C15H13FO2 — CID 172914061

IUPAC5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2cc(C)c(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H13FO2/c1-9-3-5-11(6-4-9)12-7-10(2)14(16)8-13(12)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyFTKNPFFYDVVRFK-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.81
Rot. Bonds2

About 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid

5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid (PubChem CID 172914061) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
PubChem CID172914061
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2cc(C)c(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H13FO2/c1-9-3-5-11(6-4-9)12-7-10(2)14(16)8-13(12)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyFTKNPFFYDVVRFK-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
5-fluoro-2-(3-fluoro-4-methylphenyl)benzoic acid
CID 53225548
2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methylbenzoic acid
CID 172914074
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
CID 23542780
4-[4-(2-hydroxypropan-2-yl)phenyl]-6-methylbenzene-1,3-dicarboxylic acid
CID 174863605
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
CID 114103572
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
4-fluoro-5-methyl-2-(3-propan-2-ylphenyl)benzoic acid
CID 172914147
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid?
The IUPAC name of 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid (CID 172914061) is 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid.
What is the SMILES notation for 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid?
The canonical SMILES for 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid is Cc1ccc(-c2cc(C)c(F)cc2C(=O)O)cc1.
What is the InChIKey of 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid?
The InChIKey is FTKNPFFYDVVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-9-3-5-11(6-4-9)12-7-10(2)14(16)8-13(12)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid?
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid has a molecular weight of 244.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid is sourced from PubChem (CID 172914061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).