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

C9H8F2O4 — CID 117310492

IUPAC2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(F)cc1F
InChIInChI=1S/C9H8F2O4/c1-15-7-2-4(8(12)9(13)14)5(10)3-6(7)11/h2-3,8,12H,1H3,(H,13,14)
InChIKeyACCRCIZGFIRYBF-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.09
Rot. Bonds3

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

2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 117310492) has the molecular formula C9H8F2O4 and a molecular weight of 218.16 g/mol. Its IUPAC name is 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID117310492
Molecular FormulaC9H8F2O4
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Name2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(F)cc1F
InChIInChI=1S/C9H8F2O4/c1-15-7-2-4(8(12)9(13)14)5(10)3-6(7)11/h2-3,8,12H,1H3,(H,13,14)
InChIKeyACCRCIZGFIRYBF-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 ≤ 500218.16
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
2-(2-fluoro-5-formyl-4-methoxyphenyl)-2-hydroxyacetic acid
CID 171009531
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117361958
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 116938095
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170824441

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid (CID 117310492) is 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)c(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is ACCRCIZGFIRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4/c1-15-7-2-4(8(12)9(13)14)5(10)3-6(7)11/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid?
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 218.16 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-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117310492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).