4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol

C17H24ClNO — CID 12711951

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1
InChIInChI=1S/C17H24ClNO/c1-4-9-16(20)10-12-17(13-11-16,19(2)3)14-5-7-15(18)8-6-14/h4-8,20H,1,9-13H2,2-3H3
InChIKeyMHPOUDSXGZREAG-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.98
Rot. Bonds4

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol

4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol (PubChem CID 12711951) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol
PubChem CID12711951
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol
SMILESC=CCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1
InChIInChI=1S/C17H24ClNO/c1-4-9-16(20)10-12-17(13-11-16,19(2)3)14-5-7-15(18)8-6-14/h4-8,20H,1,9-13H2,2-3H3
InChIKeyMHPOUDSXGZREAG-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol (CID 12711951) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol is C=CCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol?
The InChIKey is MHPOUDSXGZREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-4-9-16(20)10-12-17(13-11-16,19(2)3)14-5-7-15(18)8-6-14/h4-8,20H,1,9-13H2,2-3H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol?
4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol has a molecular weight of 293.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 12711951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).