2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid

C9H7ClF2O4 — CID 117384544

IUPAC2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)cc(F)c(Cl)c1F
InChIInChI=1S/C9H7ClF2O4/c1-16-8-3(7(13)9(14)15)2-4(11)5(10)6(8)12/h2,7,13H,1H3,(H,14,15)
InChIKeyQGBKJWIWWCEACK-UHFFFAOYSA-N
MW252.60 g/mol
LogP1.74
Rot. Bonds3

About 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid

2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117384544) has the molecular formula C9H7ClF2O4 and a molecular weight of 252.60 g/mol. Its IUPAC name is 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117384544
Molecular FormulaC9H7ClF2O4
Molecular Weight252.60 g/mol
Exact Mass252.00
IUPAC Name2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)cc(F)c(Cl)c1F
InChIInChI=1S/C9H7ClF2O4/c1-16-8-3(7(13)9(14)15)2-4(11)5(10)6(8)12/h2,7,13H,1H3,(H,14,15)
InChIKeyQGBKJWIWWCEACK-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_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
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
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-amino-3-(4-chloro-3,5-difluoro-2-methoxyphenyl)propanoic acid
CID 117418267
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-hydroxyacetic acid
CID 117384549
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid (CID 117384544) is 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(C(O)C(=O)O)cc(F)c(Cl)c1F.
What is the InChIKey of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is QGBKJWIWWCEACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O4/c1-16-8-3(7(13)9(14)15)2-4(11)5(10)6(8)12/h2,7,13H,1H3,(H,14,15).
What are the key properties of 2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(4-chloro-3,5-difluoro-2-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-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117384544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).