4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid

C14H9FO5 — CID 53227336

IUPAC4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C14H9FO5/c15-10-4-8(3-9(5-10)14(19)20)11-2-1-7(13(17)18)6-12(11)16/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyVAYXDWDKWAPHSK-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.59
Rot. Bonds3

About 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid

4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid (PubChem CID 53227336) has the molecular formula C14H9FO5 and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
PubChem CID53227336
Molecular FormulaC14H9FO5
Molecular Weight276.22 g/mol
Exact Mass276.04
IUPAC Name4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C14H9FO5/c15-10-4-8(3-9(5-10)14(19)20)11-2-1-7(13(17)18)6-12(11)16/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyVAYXDWDKWAPHSK-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

4-(4-fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid
CID 53225677
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
4-[3-[(3R,4S)-3-(dimethylamino)-4-hydroxypiperidine-1-carbonyl]-5-fluorophenyl]-3-hydroxybenzoic acid
CID 170507862
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
4-(3-chloro-5-fluorophenyl)-3-fluorobenzoic acid
CID 53226890
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
3-fluoro-5-(2-fluoro-5-methoxycarbonylphenyl)benzoic acid
CID 53227934
3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid
CID 53445805
3-hydroxy-4-(4-sulfanylphenyl)benzoic acid;zinc
CID 174804951
5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid
CID 53219708
3-(3-fluoro-5-methylphenyl)-4-methylbenzoic acid
CID 81476712
3-(2-ethylfuran-3-yl)-5-fluorobenzoic acid
CID 164526975

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid?
The IUPAC name of 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid (CID 53227336) is 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid is O=C(O)c1cc(F)cc(-c2ccc(C(=O)O)cc2O)c1.
What is the InChIKey of 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid?
The InChIKey is VAYXDWDKWAPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO5/c15-10-4-8(3-9(5-10)14(19)20)11-2-1-7(13(17)18)6-12(11)16/h1-6,16H,(H,17,18)(H,19,20).
What are the key properties of 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid?
4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic 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 4-(3-carboxy-5-fluorophenyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 53227336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).