3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid

C15H12F2O3 — CID 107513998

IUPAC3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccc(C)c(F)c1F
InChIInChI=1S/C15H12F2O3/c1-8-3-5-10(14(17)13(8)16)11-7-9(15(18)19)4-6-12(11)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyFHUZOIHSRJKPCC-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.65
Rot. Bonds3

About 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid

3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid (PubChem CID 107513998) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
PubChem CID107513998
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccc(C)c(F)c1F
InChIInChI=1S/C15H12F2O3/c1-8-3-5-10(14(17)13(8)16)11-7-9(15(18)19)4-6-12(11)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyFHUZOIHSRJKPCC-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
CID 61026090
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,6-difluoro-4-methoxyphenyl)-4-methylbenzoic acid
CID 81475981
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
3-hydroxy-4-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226280

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid (CID 107513998) is 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1ccc(C)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid?
The InChIKey is FHUZOIHSRJKPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-8-3-5-10(14(17)13(8)16)11-7-9(15(18)19)4-6-12(11)20-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid?
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid has a molecular weight of 278.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid is sourced from PubChem (CID 107513998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).