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

C9H8F2O4 — CID 117310475

IUPAC2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(F)c1F
InChIInChI=1S/C9H8F2O4/c1-15-8-4(7(12)9(13)14)2-3-5(10)6(8)11/h2-3,7,12H,1H3,(H,13,14)
InChIKeyQNCWLAJREGKQTM-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.09
Rot. Bonds3

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

2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117310475) has the molecular formula C9H8F2O4 and a molecular weight of 218.15 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117310475
Molecular FormulaC9H8F2O4
Molecular Weight218.15 g/mol
Exact Mass218.04
IUPAC Name2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(C(O)C(=O)O)ccc(F)c1F
InChIInChI=1S/C9H8F2O4/c1-15-8-4(7(12)9(13)14)2-3-5(10)6(8)11/h2-3,7,12H,1H3,(H,13,14)
InChIKeyQNCWLAJREGKQTM-UHFFFAOYSA-N
XLogP1.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117384544
1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
CID 123427899
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid (CID 117310475) is 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(C(O)C(=O)O)ccc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is QNCWLAJREGKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4/c1-15-8-4(7(12)9(13)14)2-3-5(10)6(8)11/h2-3,7,12H,1H3,(H,13,14).
What are the key properties of 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 218.15 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117310475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).