2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid

C15H12F2O3 — CID 107514003

IUPAC2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(C)c(F)c2F)c(C(=O)O)c1
InChIInChI=1S/C15H12F2O3/c1-8-3-5-11(14(17)13(8)16)10-6-4-9(20-2)7-12(10)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyQRJFXUPMQDWUBZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.65
Rot. Bonds3

About 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid

2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid (PubChem CID 107514003) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
PubChem CID107514003
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccc(C)c(F)c2F)c(C(=O)O)c1
InChIInChI=1S/C15H12F2O3/c1-8-3-5-11(14(17)13(8)16)10-6-4-9(20-2)7-12(10)15(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyQRJFXUPMQDWUBZ-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

2-(4-fluoro-2-methylphenyl)-5-methoxybenzoic acid
CID 54912716
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-(2-chloro-4,5-difluorophenyl)-5-methoxybenzoic acid
CID 107476776
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
CID 107513998
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
2-(2-fluoro-5-methoxyphenyl)-5-(hydroxymethyl)benzoic acid
CID 57467590

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid (CID 107514003) is 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid is COc1ccc(-c2ccc(C)c(F)c2F)c(C(=O)O)c1.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid?
The InChIKey is QRJFXUPMQDWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-8-3-5-11(14(17)13(8)16)10-6-4-9(20-2)7-12(10)15(18)19/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid?
2-(2,3-difluoro-4-methylphenyl)-5-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 2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 107514003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).