4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol

C22H27Cl2NO — CID 12711959

IUPAC4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27Cl2NO/c1-25(2)22(18-5-9-20(24)10-6-18)15-13-21(26,14-16-22)12-11-17-3-7-19(23)8-4-17/h3-10,26H,11-16H2,1-2H3
InChIKeyZZVZRJGIDVDWPF-UHFFFAOYSA-N
MW392.37 g/mol
LogP5.69
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol

4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol (PubChem CID 12711959) has the molecular formula C22H27Cl2NO and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol
PubChem CID12711959
Molecular FormulaC22H27Cl2NO
Molecular Weight392.37 g/mol
Exact Mass391.15
IUPAC Name4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H27Cl2NO/c1-25(2)22(18-5-9-20(24)10-6-18)15-13-21(26,14-16-22)12-11-17-3-7-19(23)8-4-17/h3-10,26H,11-16H2,1-2H3
InChIKeyZZVZRJGIDVDWPF-UHFFFAOYSA-N
XLogP5.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol (CID 12711959) is 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol is CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol?
The InChIKey is ZZVZRJGIDVDWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO/c1-25(2)22(18-5-9-20(24)10-6-18)15-13-21(26,14-16-22)12-11-17-3-7-19(23)8-4-17/h3-10,26H,11-16H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol?
4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol has a molecular weight of 392.37 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol is sourced from PubChem (CID 12711959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).