2-(2,3-difluorophenyl)-5-methylbenzoic acid

C14H10F2O2 — CID 53225918

IUPAC2-(2,3-difluorophenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2cccc(F)c2F)c(C(=O)O)c1
InChIInChI=1S/C14H10F2O2/c1-8-5-6-9(11(7-8)14(17)18)10-3-2-4-12(15)13(10)16/h2-7H,1H3,(H,17,18)
InChIKeyAVWMRMGXEAKFBL-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.64
Rot. Bonds2

About 2-(2,3-difluorophenyl)-5-methylbenzoic acid

2-(2,3-difluorophenyl)-5-methylbenzoic acid (PubChem CID 53225918) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-5-methylbenzoic acid
PubChem CID53225918
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-(2,3-difluorophenyl)-5-methylbenzoic acid
SMILESCc1ccc(-c2cccc(F)c2F)c(C(=O)O)c1
InChIInChI=1S/C14H10F2O2/c1-8-5-6-9(11(7-8)14(17)18)10-3-2-4-12(15)13(10)16/h2-7H,1H3,(H,17,18)
InChIKeyAVWMRMGXEAKFBL-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
CID 118807060
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-(2-bromophenyl)-5-methylbenzoic acid
CID 115503534
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
2-chloro-5-(2,3-difluorophenyl)pyridine-4-carboxylic acid
CID 53223063
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441
3-(2,5-difluoro-4-methylphenyl)-2-fluorobenzoic acid
CID 107957745
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-5-methylbenzoic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-5-methylbenzoic acid (CID 53225918) is 2-(2,3-difluorophenyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-5-methylbenzoic acid is Cc1ccc(-c2cccc(F)c2F)c(C(=O)O)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-5-methylbenzoic acid?
The InChIKey is AVWMRMGXEAKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-8-5-6-9(11(7-8)14(17)18)10-3-2-4-12(15)13(10)16/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(2,3-difluorophenyl)-5-methylbenzoic acid?
2-(2,3-difluorophenyl)-5-methylbenzoic acid has a molecular weight of 248.23 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-5-methylbenzoic acid is sourced from PubChem (CID 53225918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).