2,3-difluoro-4-(4-methoxyphenyl)benzoic acid

C14H10F2O3 — CID 19911004

IUPAC2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(F)c2F)cc1
InChIInChI=1S/C14H10F2O3/c1-19-9-4-2-8(3-5-9)10-6-7-11(14(17)18)13(16)12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyHDZVWVAEXYMGJP-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.34
Rot. Bonds3

About 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid

2,3-difluoro-4-(4-methoxyphenyl)benzoic acid (PubChem CID 19911004) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
PubChem CID19911004
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(F)c2F)cc1
InChIInChI=1S/C14H10F2O3/c1-19-9-4-2-8(3-5-9)10-6-7-11(14(17)18)13(16)12(10)15/h2-7H,1H3,(H,17,18)
InChIKeyHDZVWVAEXYMGJP-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-iodo-4-(4-methoxyphenyl)-3-methylbenzoic acid
CID 67513118
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
CID 57314775
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl] 2,3-difluoro-4-(4-methoxyphenyl)benzoate
CID 89124625
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid (CID 19911004) is 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid?
The InChIKey is HDZVWVAEXYMGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-19-9-4-2-8(3-5-9)10-6-7-11(14(17)18)13(16)12(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid?
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 19911004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).