4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol

C19H28ClNO — CID 12711963

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol
SMILESC=CCCCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1
InChIInChI=1S/C19H28ClNO/c1-4-5-6-11-18(22)12-14-19(15-13-18,21(2)3)16-7-9-17(20)10-8-16/h4,7-10,22H,1,5-6,11-15H2,2-3H3
InChIKeyRDROBMDGBCZHRV-UHFFFAOYSA-N
MW321.89 g/mol
LogP4.76
Rot. Bonds6

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol

4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol (PubChem CID 12711963) has the molecular formula C19H28ClNO and a molecular weight of 321.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol
PubChem CID12711963
Molecular FormulaC19H28ClNO
Molecular Weight321.89 g/mol
Exact Mass321.19
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol
SMILESC=CCCCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1
InChIInChI=1S/C19H28ClNO/c1-4-5-6-11-18(22)12-14-19(15-13-18,21(2)3)16-7-9-17(20)10-8-16/h4,7-10,22H,1,5-6,11-15H2,2-3H3
InChIKeyRDROBMDGBCZHRV-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol (CID 12711963) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol is C=CCCCC1(O)CCC(c2ccc(Cl)cc2)(N(C)C)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol?
The InChIKey is RDROBMDGBCZHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO/c1-4-5-6-11-18(22)12-14-19(15-13-18,21(2)3)16-7-9-17(20)10-8-16/h4,7-10,22H,1,5-6,11-15H2,2-3H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol?
4-(4-chlorophenyl)-4-(dimethylamino)-1-pent-4-enylcyclohexan-1-ol has a molecular weight of 321.89 g/mol, XLogP of 4.76, 6 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-pent-4-enylcyclohexan-1-ol is sourced from PubChem (CID 12711963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).