1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol

C11H14F2O2 — CID 60923086

IUPAC1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
SMILESCc1ccc(OCC(F)F)c(C(C)O)c1
InChIInChI=1S/C11H14F2O2/c1-7-3-4-10(15-6-11(12)13)9(5-7)8(2)14/h3-5,8,11,14H,6H2,1-2H3
InChIKeyLRWQLQDUOZXCLB-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.69
Rot. Bonds4

About 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol

1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol (PubChem CID 60923086) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
PubChem CID60923086
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
SMILESCc1ccc(OCC(F)F)c(C(C)O)c1
InChIInChI=1S/C11H14F2O2/c1-7-3-4-10(15-6-11(12)13)9(5-7)8(2)14/h3-5,8,11,14H,6H2,1-2H3
InChIKeyLRWQLQDUOZXCLB-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
CID 55190954
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
(1S)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78934280
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
1-(2-but-2-ynoxy-5-methylphenyl)ethanol
CID 62311951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol (CID 60923086) is 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol is Cc1ccc(OCC(F)F)c(C(C)O)c1.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol?
The InChIKey is LRWQLQDUOZXCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-7-3-4-10(15-6-11(12)13)9(5-7)8(2)14/h3-5,8,11,14H,6H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol?
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol has a molecular weight of 216.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol is sourced from PubChem (CID 60923086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).