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

C15H13FO2 — CID 81476549

IUPAC3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
SMILESCc1cc(F)ccc1-c1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H13FO2/c1-9-3-4-11(15(17)18)8-14(9)13-6-5-12(16)7-10(13)2/h3-8H,1-2H3,(H,17,18)
InChIKeyXCBYQJBHOVEYKB-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.81
Rot. Bonds2

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

3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid (PubChem CID 81476549) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
PubChem CID81476549
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
SMILESCc1cc(F)ccc1-c1cc(C(=O)O)ccc1C
InChIInChI=1S/C15H13FO2/c1-9-3-4-11(15(17)18)8-14(9)13-6-5-12(16)7-10(13)2/h3-8H,1-2H3,(H,17,18)
InChIKeyXCBYQJBHOVEYKB-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

4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
CID 81476712
2-(5-fluoro-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 23792936
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
3-fluoro-4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879243
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid (CID 81476549) is 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid is Cc1cc(F)ccc1-c1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid?
The InChIKey is XCBYQJBHOVEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-9-3-4-11(15(17)18)8-14(9)13-6-5-12(16)7-10(13)2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid?
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic 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 3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid is sourced from PubChem (CID 81476549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).