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

C9H8ClFO4 — CID 117341280

IUPAC2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(F)cc(Cl)cc1C(O)C(=O)O
InChIInChI=1S/C9H8ClFO4/c1-15-8-5(7(12)9(13)14)2-4(10)3-6(8)11/h2-3,7,12H,1H3,(H,13,14)
InChIKeySGHIRUUSVQMKRR-UHFFFAOYSA-N
MW234.61 g/mol
LogP1.61
Rot. Bonds3

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

2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117341280) has the molecular formula C9H8ClFO4 and a molecular weight of 234.61 g/mol. Its IUPAC name is 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117341280
Molecular FormulaC9H8ClFO4
Molecular Weight234.61 g/mol
Exact Mass234.01
IUPAC Name2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(F)cc(Cl)cc1C(O)C(=O)O
InChIInChI=1S/C9H8ClFO4/c1-15-8-5(7(12)9(13)14)2-4(10)3-6(8)11/h2-3,7,12H,1H3,(H,13,14)
InChIKeySGHIRUUSVQMKRR-UHFFFAOYSA-N
XLogP1.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
3-(5-chloro-3-fluoro-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406150

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid (CID 117341280) is 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(F)cc(Cl)cc1C(O)C(=O)O.
What is the InChIKey of 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is SGHIRUUSVQMKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO4/c1-15-8-5(7(12)9(13)14)2-4(10)3-6(8)11/h2-3,7,12H,1H3,(H,13,14).
What are the key properties of 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 234.61 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117341280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).