2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol

C16H22Cl2O — CID 107192076

IUPAC2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCCCC1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2O/c1-16(2)9-4-3-6-12(16)15(19)10-11-13(17)7-5-8-14(11)18/h5,7-8,12,15,19H,3-4,6,9-10H2,1-2H3
InChIKeyFIPSORQUDNANCR-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.11
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol

2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol (PubChem CID 107192076) has the molecular formula C16H22Cl2O and a molecular weight of 301.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
PubChem CID107192076
Molecular FormulaC16H22Cl2O
Molecular Weight301.26 g/mol
Exact Mass300.10
IUPAC Name2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCCCC1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2O/c1-16(2)9-4-3-6-12(16)15(19)10-11-13(17)7-5-8-14(11)18/h5,7-8,12,15,19H,3-4,6,9-10H2,1-2H3
InChIKeyFIPSORQUDNANCR-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188128
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
3-amino-2-(2-chlorophenyl)-1-(2,2-dimethylcyclohexyl)propan-1-ol
CID 107185223
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107179470
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
1-(2,2-dimethylcyclohexyl)-2-(1-methylindazol-3-yl)ethanol
CID 107192548
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 107192689
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
2-(2,6-dichlorophenyl)-1-(oxolan-2-yl)ethanol
CID 65331137
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol (CID 107192076) is 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol is CC1(C)CCCCC1C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
The InChIKey is FIPSORQUDNANCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2O/c1-16(2)9-4-3-6-12(16)15(19)10-11-13(17)7-5-8-14(11)18/h5,7-8,12,15,19H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol?
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol has a molecular weight of 301.26 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 107192076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).