1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol

C11H14F2O3 — CID 82001163

IUPAC1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCC(F)F)c1
InChIInChI=1S/C11H14F2O3/c1-7(14)9-4-3-8(15-2)5-10(9)16-6-11(12)13/h3-5,7,11,14H,6H2,1-2H3
InChIKeyZWZHTJMGGVGCCI-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol

1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol (PubChem CID 82001163) has the molecular formula C11H14F2O3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
PubChem CID82001163
Molecular FormulaC11H14F2O3
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
SMILESCOc1ccc(C(C)O)c(OCC(F)F)c1
InChIInChI=1S/C11H14F2O3/c1-7(14)9-4-3-8(15-2)5-10(9)16-6-11(12)13/h3-5,7,11,14H,6H2,1-2H3
InChIKeyZWZHTJMGGVGCCI-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
[2-(2,2-difluoroethoxy)-4-methoxyphenyl]methanol
CID 61269046
(1R)-1-[2-[(E)-but-2-enoxy]-4-methoxyphenyl]ethanol
CID 82001259
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol (CID 82001163) is 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol is COc1ccc(C(C)O)c(OCC(F)F)c1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol?
The InChIKey is ZWZHTJMGGVGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3/c1-7(14)9-4-3-8(15-2)5-10(9)16-6-11(12)13/h3-5,7,11,14H,6H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol?
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol has a molecular weight of 232.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).