2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol

C15H20ClFO — CID 112653098

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C15H20ClFO/c1-10-4-2-5-11(8-10)14(18)9-12-6-3-7-13(17)15(12)16/h3,6-7,10-11,14,18H,2,4-5,8-9H2,1H3
InChIKeyRABPENSHQMEEPR-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.21
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol (PubChem CID 112653098) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
PubChem CID112653098
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C15H20ClFO/c1-10-4-2-5-11(8-10)14(18)9-12-6-3-7-13(17)15(12)16/h3,6-7,10-11,14,18H,2,4-5,8-9H2,1H3
InChIKeyRABPENSHQMEEPR-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclopentyl)ethanol
CID 112653481
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
2-(2-bromophenyl)-1-(3-methylcyclohexyl)ethanol
CID 55187545
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol (CID 112653098) is 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol is CC1CCCC(C(O)Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The InChIKey is RABPENSHQMEEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-10-4-2-5-11(8-10)14(18)9-12-6-3-7-13(17)15(12)16/h3,6-7,10-11,14,18H,2,4-5,8-9H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol has a molecular weight of 270.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol is sourced from PubChem (CID 112653098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).