4-(2-fluoro-4,6-dimethylphenyl)benzoic acid

C15H13FO2 — CID 106882157

IUPAC4-(2-fluoro-4,6-dimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(C(=O)O)cc2)c(F)c1
InChIInChI=1S/C15H13FO2/c1-9-7-10(2)14(13(16)8-9)11-3-5-12(6-4-11)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyNMFPNMLIWAXQQI-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.81
Rot. Bonds2

About 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid

4-(2-fluoro-4,6-dimethylphenyl)benzoic acid (PubChem CID 106882157) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-fluoro-4,6-dimethylphenyl)benzoic acid
PubChem CID106882157
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name4-(2-fluoro-4,6-dimethylphenyl)benzoic acid
SMILESCc1cc(C)c(-c2ccc(C(=O)O)cc2)c(F)c1
InChIInChI=1S/C15H13FO2/c1-9-7-10(2)14(13(16)8-9)11-3-5-12(6-4-11)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyNMFPNMLIWAXQQI-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-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879235
2-chloro-5-(2-fluoro-4,6-dimethylphenyl)benzoic acid
CID 106882164
1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
CID 106882206
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
CID 171697581
4-[2,5-dimethyl-4-(4-methylphenyl)phenyl]benzoic acid
CID 154692263
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
sodium 4-methylbenzoic acid
CID 164511663
[3,5-difluoro-4-(trifluoromethoxy)phenyl] 4-(2-fluoro-4,6-dimethylphenyl)-2-methylbenzoate
CID 58708808
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
acetic acid;4-methylbenzoic acid
CID 68925030

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
The IUPAC name of 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid (CID 106882157) is 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid.
What is the SMILES notation for 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
The canonical SMILES for 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid is Cc1cc(C)c(-c2ccc(C(=O)O)cc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
The InChIKey is NMFPNMLIWAXQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-9-7-10(2)14(13(16)8-9)11-3-5-12(6-4-11)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid?
4-(2-fluoro-4,6-dimethylphenyl)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 4-(2-fluoro-4,6-dimethylphenyl)benzoic acid is sourced from PubChem (CID 106882157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).