5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid

C14H9FO5 — CID 53219708

IUPAC5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C14H9FO5/c15-12-6-10(16)1-2-11(12)7-3-8(13(17)18)5-9(4-7)14(19)20/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyAHVMFKGBQFZZID-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.59
Rot. Bonds3

About 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid

5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid (PubChem CID 53219708) has the molecular formula C14H9FO5 and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid
PubChem CID53219708
Molecular FormulaC14H9FO5
Molecular Weight276.22 g/mol
Exact Mass276.04
IUPAC Name5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccc(O)cc2F)c1
InChIInChI=1S/C14H9FO5/c15-12-6-10(16)1-2-11(12)7-3-8(13(17)18)5-9(4-7)14(19)20/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyAHVMFKGBQFZZID-UHFFFAOYSA-N
XLogP2.59
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-(3-fluoro-5-hydroxyphenyl)phenol
CID 53219337
5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
CID 82107186
3-(2-fluoro-4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53219633
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
CID 53227336
3-fluoro-5-(3-hydroxyphenyl)-4-methylbenzoic acid
CID 176508639
3-fluoro-4-pyridin-4-ylphenol
CID 135740652
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-amino-5-(2-fluorophenyl)benzoic acid
CID 53225005
4-(3-chloro-5-fluorophenyl)-3-fluorophenol
CID 53219503
4-(2-fluoro-4-hydroxyphenyl)benzaldehyde
CID 52983987
3-(2-fluoro-4-methylphenyl)-5-morpholin-4-ylbenzoic acid
CID 68733191
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid (CID 53219708) is 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc(-c2ccc(O)cc2F)c1.
What is the InChIKey of 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
The InChIKey is AHVMFKGBQFZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO5/c15-12-6-10(16)1-2-11(12)7-3-8(13(17)18)5-9(4-7)14(19)20/h1-6,16H,(H,17,18)(H,19,20).
What are the key properties of 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid has a molecular weight of 276.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 53219708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).