(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol

C18H21Cl2N3O — CID 15186395

IUPAC(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
SMILESCC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)C1(O)Cn1cncn1
InChIInChI=1S/C18H21Cl2N3O/c1-17(2)7-3-4-14(8-13-5-6-15(19)9-16(13)20)18(17,24)10-23-12-21-11-22-23/h5-6,8-9,11-12,24H,3-4,7,10H2,1-2H3/b14-8+
InChIKeySJCZUGCHQJNQGJ-RIYZIHGNSA-N
MW366.29 g/mol
LogP4.61
Rot. Bonds3

About (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol

(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol (PubChem CID 15186395) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
PubChem CID15186395
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
SMILESCC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)C1(O)Cn1cncn1
InChIInChI=1S/C18H21Cl2N3O/c1-17(2)7-3-4-14(8-13-5-6-15(19)9-16(13)20)18(17,24)10-23-12-21-11-22-23/h5-6,8-9,11-12,24H,3-4,7,10H2,1-2H3/b14-8+
InChIKeySJCZUGCHQJNQGJ-RIYZIHGNSA-N
XLogP4.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-fluorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
CID 54267595
5-[(4-chlorophenyl)methylidene]-2,2-diethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 54225475
cis-(1R,2E,6R)-2-[(4-chlorophenyl)methylidene]-6-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol
CID 6546226
(2Z)-2-[(4-chlorophenyl)methylidene]-7-methyl-1-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-ol
CID 19042353
2-[(4-chlorophenyl)methylidene]-5,5-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentane-1,3-diol
CID 165363600
1-[2-[(2,4-dichlorophenyl)methylidene]-3,3-dimethylbutyl]-1,2,4-triazole
CID 54287444
CID 70665658
CID 70665658
2-[(2,4-dichlorophenyl)methyl]-5-ethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 14556808
(1R)-5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
CID 70245836
1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dithiolan-2-yl]methyl]-1,2,4-triazole
CID 88697866
1-[2-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole
CID 70424591
N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol?
The IUPAC name of (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol (CID 15186395) is (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol is CC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)C1(O)Cn1cncn1.
What is the InChIKey of (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol?
The InChIKey is SJCZUGCHQJNQGJ-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-17(2)7-3-4-14(8-13-5-6-15(19)9-16(13)20)18(17,24)10-23-12-21-11-22-23/h5-6,8-9,11-12,24H,3-4,7,10H2,1-2H3/b14-8+.
What are the key properties of (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol?
(6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol has a molecular weight of 366.29 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 15186395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).