(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol

C22H34ClNO — CID 22642671

IUPAC(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C\c1ccc(Cl)cc1)C(O)(CC1CCCCC1)C(C)CN(C)C
InChIInChI=1S/C22H34ClNO/c1-17(14-19-10-12-21(23)13-11-19)22(25,18(2)16-24(3)4)15-20-8-6-5-7-9-20/h10-14,18,20,25H,5-9,15-16H2,1-4H3/b17-14+
InChIKeyMEGHZTWOZYPVMW-SAPNQHFASA-N
MW363.97 g/mol
LogP5.64
Rot. Bonds7

About (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol

(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol (PubChem CID 22642671) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
PubChem CID22642671
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol
SMILESC/C(=C\c1ccc(Cl)cc1)C(O)(CC1CCCCC1)C(C)CN(C)C
InChIInChI=1S/C22H34ClNO/c1-17(14-19-10-12-21(23)13-11-19)22(25,18(2)16-24(3)4)15-20-8-6-5-7-9-20/h10-14,18,20,25H,5-9,15-16H2,1-4H3/b17-14+
InChIKeyMEGHZTWOZYPVMW-SAPNQHFASA-N
XLogP5.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.97
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-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 (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol (CID 22642671) is (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol is C/C(=C\c1ccc(Cl)cc1)C(O)(CC1CCCCC1)C(C)CN(C)C.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is MEGHZTWOZYPVMW-SAPNQHFASA-N. The full InChI is InChI=1S/C22H34ClNO/c1-17(14-19-10-12-21(23)13-11-19)22(25,18(2)16-24(3)4)15-20-8-6-5-7-9-20/h10-14,18,20,25H,5-9,15-16H2,1-4H3/b17-14+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol?
(E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 363.97 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(cyclohexylmethyl)-5-(dimethylamino)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 22642671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).