2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid

C9H8ClFO4 — CID 117341279

IUPAC2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(F)c1Cl
InChIInChI=1S/C9H8ClFO4/c1-15-8-4(7(12)9(13)14)2-3-5(11)6(8)10/h2-3,7,12H,1H3,(H,13,14)
InChIKeyZIINTYAMQYBUGD-UHFFFAOYSA-N
MW234.61 g/mol
LogP1.61
Rot. Bonds3

About 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid

2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117341279) has the molecular formula C9H8ClFO4 and a molecular weight of 234.61 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117341279
Molecular FormulaC9H8ClFO4
Molecular Weight234.61 g/mol
Exact Mass234.01
IUPAC Name2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(F)c1Cl
InChIInChI=1S/C9H8ClFO4/c1-15-8-4(7(12)9(13)14)2-3-5(11)6(8)10/h2-3,7,12H,1H3,(H,13,14)
InChIKeyZIINTYAMQYBUGD-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-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid (CID 117341279) is 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(C(O)C(=O)O)ccc(F)c1Cl.
What is the InChIKey of 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is ZIINTYAMQYBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO4/c1-15-8-4(7(12)9(13)14)2-3-5(11)6(8)10/h2-3,7,12H,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(3-chloro-4-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-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117341279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).