4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol

C22H28ClNO — CID 10135240

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C22H28ClNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3
InChIKeyWYDMGCGGXMHGSJ-UHFFFAOYSA-N
MW357.93 g/mol
LogP5.03
Rot. Bonds5

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol

4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 10135240) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol
PubChem CID10135240
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1
InChIInChI=1S/C22H28ClNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3
InChIKeyWYDMGCGGXMHGSJ-UHFFFAOYSA-N
XLogP5.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.93
LogP ≤ 55.03
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-(2-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol (CID 10135240) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol is CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is WYDMGCGGXMHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18/h3-11,25H,12-17H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol?
4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 357.93 g/mol, XLogP of 5.03, 5 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-(2-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 10135240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).