2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid

C11H12F2O5 — CID 117409616

IUPAC2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(OC)cc1C(F)F
InChIInChI=1S/C11H12F2O5/c1-17-7-4-6(10(12)13)8(18-2)3-5(7)9(14)11(15)16/h3-4,9-10,14H,1-2H3,(H,15,16)
InChIKeyYAXMMMOIXYUMOQ-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid (PubChem CID 117409616) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
PubChem CID117409616
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Name2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
SMILESCOc1cc(C(O)C(=O)O)c(OC)cc1C(F)F
InChIInChI=1S/C11H12F2O5/c1-17-7-4-6(10(12)13)8(18-2)3-5(7)9(14)11(15)16/h3-4,9-10,14H,1-2H3,(H,15,16)
InChIKeyYAXMMMOIXYUMOQ-UHFFFAOYSA-N
XLogP1.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117398867
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117310492
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409617
2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117361958
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
CID 46848158
1-[4-(difluoromethyl)-2,5-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117461580
2-(5-bromo-2-methoxy-4-nitrophenyl)-2-hydroxyacetic acid
CID 171008066
2-(2,5-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118996626
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
4-amino-4-[5-(difluoromethyl)-2,4-dimethoxyphenyl]butanoic acid
CID 117467143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid (CID 117409616) is 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid is COc1cc(C(O)C(=O)O)c(OC)cc1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid?
The InChIKey is YAXMMMOIXYUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c1-17-7-4-6(10(12)13)8(18-2)3-5(7)9(14)11(15)16/h3-4,9-10,14H,1-2H3,(H,15,16).
What are the key properties of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid?
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid has a molecular weight of 262.21 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117409616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).