3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol

C16H23ClO — CID 116696284

IUPAC3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol
SMILESCC1CCCC(C(O)(CCCl)c2ccccc2)C1
InChIInChI=1S/C16H23ClO/c1-13-6-5-9-15(12-13)16(18,10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3
InChIKeyFIZNIDYQGURBKE-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.33
Rot. Bonds4

About 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol

3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol (PubChem CID 116696284) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol
PubChem CID116696284
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol
SMILESCC1CCCC(C(O)(CCCl)c2ccccc2)C1
InChIInChI=1S/C16H23ClO/c1-13-6-5-9-15(12-13)16(18,10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3
InChIKeyFIZNIDYQGURBKE-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol 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-Phenyl-2-propanol
CID 12053
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
2-Phenylbutan-2-ol
CID 15283
Cyclohexyl-diphenyl-methanol
CID 275162
1,2-Diphenyl-2-propanol
CID 95356
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511
2-(3-Tolyl)-2-propanol
CID 255195
alpha-Cyclopropyl-alpha-phenylbenzenemethanol
CID 79850
2-Phenyl-4-penten-2-ol
CID 143761

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol (CID 116696284) is 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol is CC1CCCC(C(O)(CCCl)c2ccccc2)C1.
What is the InChIKey of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The InChIKey is FIZNIDYQGURBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-13-6-5-9-15(12-13)16(18,10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15,18H,5-6,9-12H2,1H3.
What are the key properties of 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol has a molecular weight of 266.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-methylcyclohexyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 116696284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).