2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol

C15H20ClFO — CID 106831059

IUPAC2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
SMILESCC1(C(O)Cc2cc(F)ccc2Cl)CCCCC1
InChIInChI=1S/C15H20ClFO/c1-15(7-3-2-4-8-15)14(18)10-11-9-12(17)5-6-13(11)16/h5-6,9,14,18H,2-4,7-8,10H2,1H3
InChIKeyLYNLWAIXUDGCPA-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol (PubChem CID 106831059) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
PubChem CID106831059
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
SMILESCC1(C(O)Cc2cc(F)ccc2Cl)CCCCC1
InChIInChI=1S/C15H20ClFO/c1-15(7-3-2-4-8-15)14(18)10-11-9-12(17)5-6-13(11)16/h5-6,9,14,18H,2-4,7-8,10H2,1H3
InChIKeyLYNLWAIXUDGCPA-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
2-(2-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828868
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 102619155
2-(2,3-difluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106828875
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol (CID 106831059) is 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol is CC1(C(O)Cc2cc(F)ccc2Cl)CCCCC1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol?
The InChIKey is LYNLWAIXUDGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-15(7-3-2-4-8-15)14(18)10-11-9-12(17)5-6-13(11)16/h5-6,9,14,18H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol has a molecular weight of 270.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol is sourced from PubChem (CID 106831059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).