2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid

C9H7ClF2O4 — CID 117384549

IUPAC2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(F)c(C(O)C(=O)O)c(F)c1Cl
InChIInChI=1S/C9H7ClF2O4/c1-16-4-2-3(11)5(7(12)6(4)10)8(13)9(14)15/h2,8,13H,1H3,(H,14,15)
InChIKeyAUZBIUFLSMHZBC-UHFFFAOYSA-N
MW252.60 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid

2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117384549) has the molecular formula C9H7ClF2O4 and a molecular weight of 252.60 g/mol. Its IUPAC name is 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117384549
Molecular FormulaC9H7ClF2O4
Molecular Weight252.60 g/mol
Exact Mass252.00
IUPAC Name2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(F)c(C(O)C(=O)O)c(F)c1Cl
InChIInChI=1S/C9H7ClF2O4/c1-16-4-2-3(11)5(7(12)6(4)10)8(13)9(14)15/h2,8,13H,1H3,(H,14,15)
InChIKeyAUZBIUFLSMHZBC-UHFFFAOYSA-N
XLogP1.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.60
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117345751
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117475581
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117458077
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364
3-(2,6-difluoro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825291
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid (CID 117384549) is 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid is COc1cc(F)c(C(O)C(=O)O)c(F)c1Cl.
What is the InChIKey of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is AUZBIUFLSMHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O4/c1-16-4-2-3(11)5(7(12)6(4)10)8(13)9(14)15/h2,8,13H,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid?
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 252.60 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117384549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).