2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol

C16H23ClO — CID 65389818

IUPAC2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClO/c1-16(2)8-6-13(7-9-16)15(18)11-12-4-3-5-14(17)10-12/h3-5,10,13,15,18H,6-9,11H2,1-2H3
InChIKeyCTUCSWFYGMFXOJ-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.46
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol

2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol (PubChem CID 65389818) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
PubChem CID65389818
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClO/c1-16(2)8-6-13(7-9-16)15(18)11-12-4-3-5-14(17)10-12/h3-5,10,13,15,18H,6-9,11H2,1-2H3
InChIKeyCTUCSWFYGMFXOJ-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanol
CID 105076793
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755700
2-(3-chlorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909726
1-chloro-3-(2-chloro-2-cyclopropylethyl)benzene
CID 63016501
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
N-[1-(3-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80705084
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876
1-chloro-3-(2-methylpropyl)benzene;propan-2-ylcyclobutane
CID 163536568
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol (CID 65389818) is 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol is CC1(C)CCC(C(O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
The InChIKey is CTUCSWFYGMFXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-16(2)8-6-13(7-9-16)15(18)11-12-4-3-5-14(17)10-12/h3-5,10,13,15,18H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol?
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol has a molecular weight of 266.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 65389818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).