2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

C17H24ClFO — CID 114854696

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C17H24ClFO/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(18)10-16(14)19/h7-8,10-13,17,20H,3-6,9H2,1-2H3
InChIKeyFYECLLKIVJRFTB-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.84
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 114854696) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID114854696
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C17H24ClFO/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(18)10-16(14)19/h7-8,10-13,17,20H,3-6,9H2,1-2H3
InChIKeyFYECLLKIVJRFTB-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
CID 114852326
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
CID 176776827
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
CID 63353057
2-(2,5-dichlorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105100405
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (CID 114854696) is 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is CC(C)C1CCC(C(O)Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is FYECLLKIVJRFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(18)10-16(14)19/h7-8,10-13,17,20H,3-6,9H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 298.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 114854696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).