2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol

C16H22F2O — CID 115806040

IUPAC2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2ccc(F)c(F)c2)CC1C
InChIInChI=1S/C16H22F2O/c1-10-3-5-13(7-11(10)2)16(19)9-12-4-6-14(17)15(18)8-12/h4,6,8,10-11,13,16,19H,3,5,7,9H2,1-2H3
InChIKeyCXWGQMPJMFEISI-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.94
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol

2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol (PubChem CID 115806040) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
PubChem CID115806040
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2ccc(F)c(F)c2)CC1C
InChIInChI=1S/C16H22F2O/c1-10-3-5-13(7-11(10)2)16(19)9-12-4-6-14(17)15(18)8-12/h4,6,8,10-11,13,16,19H,3,5,7,9H2,1-2H3
InChIKeyCXWGQMPJMFEISI-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 114822937
2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 64738018
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
1-(3,4-dimethylcyclohexyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053257
3-cyclopropyl-1-(3,4-difluorophenyl)butan-2-amine
CID 83155125
2-(3-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)ethanol
CID 65395171
[2-(3,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233269
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol (CID 115806040) is 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol is CC1CCC(C(O)Cc2ccc(F)c(F)c2)CC1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
The InChIKey is CXWGQMPJMFEISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-10-3-5-13(7-11(10)2)16(19)9-12-4-6-14(17)15(18)8-12/h4,6,8,10-11,13,16,19H,3,5,7,9H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol?
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol has a molecular weight of 268.35 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 115806040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).