2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol

C15H20ClFO — CID 107883617

IUPAC2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H20ClFO/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
InChIKeyHXHCSXPMCVMKEP-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol (PubChem CID 107883617) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
PubChem CID107883617
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H20ClFO/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
InChIKeyHXHCSXPMCVMKEP-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-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
2-(3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 115806040
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanol
CID 55187547
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol (CID 107883617) is 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol is CC1CCCC(C(O)Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
The InChIKey is HXHCSXPMCVMKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/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-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol?
2-(4-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-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol is sourced from PubChem (CID 107883617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).