4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol

C23H30ClNO — CID 12711957

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C23H30ClNO/c1-25(2)23(20-10-12-21(24)13-11-20)17-15-22(26,16-18-23)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,26H,6,9,14-18H2,1-2H3
InChIKeyRMYJUOJHZLDDLW-UHFFFAOYSA-N
MW371.95 g/mol
LogP5.42
Rot. Bonds6

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol

4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol (PubChem CID 12711957) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
PubChem CID12711957
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCCc2ccccc2)CC1
InChIInChI=1S/C23H30ClNO/c1-25(2)23(20-10-12-21(24)13-11-20)17-15-22(26,16-18-23)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,26H,6,9,14-18H2,1-2H3
InChIKeyRMYJUOJHZLDDLW-UHFFFAOYSA-N
XLogP5.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.95
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol (CID 12711957) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol is CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol?
The InChIKey is RMYJUOJHZLDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO/c1-25(2)23(20-10-12-21(24)13-11-20)17-15-22(26,16-18-23)14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,26H,6,9,14-18H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol?
4-(4-chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol has a molecular weight of 371.95 g/mol, XLogP of 5.42, 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-(3-phenylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 12711957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).