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

C15H20F2O — CID 82920862

IUPAC2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H20F2O/c1-10-3-2-4-12(7-10)15(18)9-11-5-6-13(16)14(17)8-11/h5-6,8,10,12,15,18H,2-4,7,9H2,1H3
InChIKeyPBSGAJILACVEON-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.69
Rot. Bonds3

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

2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol (PubChem CID 82920862) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
PubChem CID82920862
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C15H20F2O/c1-10-3-2-4-12(7-10)15(18)9-11-5-6-13(16)14(17)8-11/h5-6,8,10,12,15,18H,2-4,7,9H2,1H3
InChIKeyPBSGAJILACVEON-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 114822937
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
[2-(3,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233269
2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
CID 104988926

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol (CID 82920862) is 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol is CC1CCCC(C(O)Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The InChIKey is PBSGAJILACVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-10-3-2-4-12(7-10)15(18)9-11-5-6-13(16)14(17)8-11/h5-6,8,10,12,15,18H,2-4,7,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol?
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol has a molecular weight of 254.32 g/mol, XLogP of 3.69, 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-methylcyclohexyl)ethanol is sourced from PubChem (CID 82920862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).