(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol

C15H19Cl2N3OSi — CID 14747893

IUPAC(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol
SMILESC[Si](C)(C)/C=C/C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3OSi/c1-22(2,3)7-6-15(21,9-20-11-18-10-19-20)13-5-4-12(16)8-14(13)17/h4-8,10-11,21H,9H2,1-3H3/b7-6+
InChIKeyCNBJWZBAPVAWMU-VOTSOKGWSA-N
MW356.33 g/mol
LogP3.91
Rot. Bonds5

About (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol

(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol (PubChem CID 14747893) has the molecular formula C15H19Cl2N3OSi and a molecular weight of 356.33 g/mol. Its IUPAC name is (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol
PubChem CID14747893
Molecular FormulaC15H19Cl2N3OSi
Molecular Weight356.33 g/mol
Exact Mass355.07
IUPAC Name(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol
SMILESC[Si](C)(C)/C=C/C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3OSi/c1-22(2,3)7-6-15(21,9-20-11-18-10-19-20)13-5-4-12(16)8-14(13)17/h4-8,10-11,21H,9H2,1-3H3/b7-6+
InChIKeyCNBJWZBAPVAWMU-VOTSOKGWSA-N
XLogP3.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
(2S)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 175765169
(2R,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 139826164
(2S,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 57016379
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13305463
(2R,3S)-2-(2,4-dichlorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,4-diol
CID 57249009
2-(2,4-dichlorophenyl)-2-hydroxy-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pentan-3-one
CID 3007572
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
1-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782961
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]methanesulfonamide
CID 18957987
3-cyclopropyl-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 13488627
2-(2,5-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 19086787

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol?
The IUPAC name of (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol (CID 14747893) is (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol.
What is the SMILES notation for (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol?
The canonical SMILES for (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol is C[Si](C)(C)/C=C/C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol?
The InChIKey is CNBJWZBAPVAWMU-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H19Cl2N3OSi/c1-22(2,3)7-6-15(21,9-20-11-18-10-19-20)13-5-4-12(16)8-14(13)17/h4-8,10-11,21H,9H2,1-3H3/b7-6+.
What are the key properties of (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol?
(E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol has a molecular weight of 356.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)-4-trimethylsilylbut-3-en-2-ol is sourced from PubChem (CID 14747893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).