3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid

C14H10F2O4 — CID 82039120

IUPAC3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(F)ccc2F)c1O
InChIInChI=1S/C14H10F2O4/c1-20-12-5-7(14(18)19)4-10(13(12)17)9-6-8(15)2-3-11(9)16/h2-6,17H,1H3,(H,18,19)
InChIKeyAVFIDKCBGKAOQG-UHFFFAOYSA-N
MW280.23 g/mol
LogP3.04
Rot. Bonds3

About 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid

3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid (PubChem CID 82039120) has the molecular formula C14H10F2O4 and a molecular weight of 280.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
PubChem CID82039120
Molecular FormulaC14H10F2O4
Molecular Weight280.23 g/mol
Exact Mass280.05
IUPAC Name3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2cc(F)ccc2F)c1O
InChIInChI=1S/C14H10F2O4/c1-20-12-5-7(14(18)19)4-10(13(12)17)9-6-8(15)2-3-11(9)16/h2-6,17H,1H3,(H,18,19)
InChIKeyAVFIDKCBGKAOQG-UHFFFAOYSA-N
XLogP3.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
2-(2,5-difluorophenyl)-6-methoxyphenol
CID 83129806
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
3-chloro-5-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 53226601
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
4-hydroxy-3-methoxy-5-(1-methylindol-3-yl)benzoic acid
CID 82039848
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid?
The IUPAC name of 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid (CID 82039120) is 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid.
What is the SMILES notation for 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid?
The canonical SMILES for 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(-c2cc(F)ccc2F)c1O.
What is the InChIKey of 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid?
The InChIKey is AVFIDKCBGKAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O4/c1-20-12-5-7(14(18)19)4-10(13(12)17)9-6-8(15)2-3-11(9)16/h2-6,17H,1H3,(H,18,19).
What are the key properties of 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid?
3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid has a molecular weight of 280.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-4-hydroxy-5-methoxybenzoic acid is sourced from PubChem (CID 82039120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).