2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid

C9H8ClFO3 — CID 117311528

IUPAC2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Cl)cc(F)cc1C(O)C(=O)O
InChIInChI=1S/C9H8ClFO3/c1-4-6(8(12)9(13)14)2-5(11)3-7(4)10/h2-3,8,12H,1H3,(H,13,14)
InChIKeyIDGAAMVGRCBJGW-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.91
Rot. Bonds2

About 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid

2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid (PubChem CID 117311528) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
PubChem CID117311528
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Cl)cc(F)cc1C(O)C(=O)O
InChIInChI=1S/C9H8ClFO3/c1-4-6(8(12)9(13)14)2-5(11)3-7(4)10/h2-3,8,12H,1H3,(H,13,14)
InChIKeyIDGAAMVGRCBJGW-UHFFFAOYSA-N
XLogP1.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetic acid
CID 117405942
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
2-[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]-2-hydroxyacetic acid
CID 134615427
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-[2-(3,4-dichlorophenyl)-5-fluorophenyl]-2-hydroxyacetic acid
CID 134633823
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(3-bromo-5-chloro-4-methylphenyl)-2-hydroxyacetic acid
CID 171002378

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid (CID 117311528) is 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid is Cc1c(Cl)cc(F)cc1C(O)C(=O)O.
What is the InChIKey of 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is IDGAAMVGRCBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-4-6(8(12)9(13)14)2-5(11)3-7(4)10/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid?
2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 218.61 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117311528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).