2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol

C16H22ClFO — CID 102618021

IUPAC2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C16H22ClFO/c1-16(2)7-5-11(6-8-16)15(19)10-12-9-13(18)3-4-14(12)17/h3-4,9,11,15,19H,5-8,10H2,1-2H3
InChIKeyGDQGQEIJKCDDII-UHFFFAOYSA-N
MW284.80 g/mol
LogP4.60
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol

2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol (PubChem CID 102618021) has the molecular formula C16H22ClFO and a molecular weight of 284.80 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
PubChem CID102618021
Molecular FormulaC16H22ClFO
Molecular Weight284.80 g/mol
Exact Mass284.13
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)Cc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C16H22ClFO/c1-16(2)7-5-11(6-8-16)15(19)10-12-9-13(18)3-4-14(12)17/h3-4,9,11,15,19H,5-8,10H2,1-2H3
InChIKeyGDQGQEIJKCDDII-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 102623074
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-5-fluorophenyl)ethanol
CID 102618237
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol (CID 102618021) is 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol is CC1(C)CCC(C(O)Cc2cc(F)ccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The InChIKey is GDQGQEIJKCDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO/c1-16(2)7-5-11(6-8-16)15(19)10-12-9-13(18)3-4-14(12)17/h3-4,9,11,15,19H,5-8,10H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol has a molecular weight of 284.80 g/mol, XLogP of 4.60, 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-(4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 102618021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).