2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol

C16H22ClN3OSi — CID 101049015

IUPAC2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol
SMILESC=CC(C(c1ccc(Cl)cc1)C(O)n1cncn1)[Si](C)(C)C
InChIInChI=1S/C16H22ClN3OSi/c1-5-14(22(2,3)4)15(12-6-8-13(17)9-7-12)16(21)20-11-18-10-19-20/h5-11,14-16,21H,1H2,2-4H3
InChIKeyIUQCPOKBYYQBBP-UHFFFAOYSA-N
MW335.91 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol

2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol (PubChem CID 101049015) has the molecular formula C16H22ClN3OSi and a molecular weight of 335.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol
PubChem CID101049015
Molecular FormulaC16H22ClN3OSi
Molecular Weight335.91 g/mol
Exact Mass335.12
IUPAC Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol
SMILESC=CC(C(c1ccc(Cl)cc1)C(O)n1cncn1)[Si](C)(C)C
InChIInChI=1S/C16H22ClN3OSi/c1-5-14(22(2,3)4)15(12-6-8-13(17)9-7-12)16(21)20-11-18-10-19-20/h5-11,14-16,21H,1H2,2-4H3
InChIKeyIUQCPOKBYYQBBP-UHFFFAOYSA-N
XLogP4.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.91
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyproconazole
CID 86132
Tebuconazole
CID 86102
Paclobutrazol
CID 73671
Ipconazole
CID 86211
(2R,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol
CID 158076
1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-
CID 616765
(3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 6540498
HWG 1608-desbutyl (M15)
CID 139595492
2-(2,4-Dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propanol
CID 15036415
HWG 1608-4-hydroxy (M05)
CID 139595450
1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol
CID 558062
2-(4-Chlorophenyl)-1-(1,2,4-triazol-1-yl)heptan-2-ol
CID 13730139

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol (CID 101049015) is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol is C=CC(C(c1ccc(Cl)cc1)C(O)n1cncn1)[Si](C)(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol?
The InChIKey is IUQCPOKBYYQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3OSi/c1-5-14(22(2,3)4)15(12-6-8-13(17)9-7-12)16(21)20-11-18-10-19-20/h5-11,14-16,21H,1H2,2-4H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol?
2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol has a molecular weight of 335.91 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpent-4-en-1-ol is sourced from PubChem (CID 101049015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).