2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid

C8H7FO4 — CID 117280331

IUPAC2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)cc1O
InChIInChI=1S/C8H7FO4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,10-11H,(H,12,13)
InChIKeyRLQPRCXFVYZJGR-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.65
Rot. Bonds2

About 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid

2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 117280331) has the molecular formula C8H7FO4 and a molecular weight of 186.14 g/mol. Its IUPAC name is 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID117280331
Molecular FormulaC8H7FO4
Molecular Weight186.14 g/mol
Exact Mass186.03
IUPAC Name2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)cc1O
InChIInChI=1S/C8H7FO4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,10-11H,(H,12,13)
InChIKeyRLQPRCXFVYZJGR-UHFFFAOYSA-N
XLogP0.65
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
CID 70117604
CID 70117604
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
2-[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134615427
2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073431
2-[4-(1-bromo-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 118835510
2-[2-fluoro-4-(3-fluorophenyl)phenyl]-2-hydroxyacetic acid
CID 46312551
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid (CID 117280331) is 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(F)cc1O.
What is the InChIKey of 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is RLQPRCXFVYZJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,10-11H,(H,12,13).
What are the key properties of 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid?
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 186.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117280331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).