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

C16H24ClN3OSi — CID 139941557

IUPAC2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol
SMILESCCC(C(O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C
InChIInChI=1S/C16H24ClN3OSi/c1-5-15(22(2,3)4)16(21,10-20-12-18-11-19-20)13-6-8-14(17)9-7-13/h6-9,11-12,15,21H,5,10H2,1-4H3
InChIKeyXITFDBXATBYQTE-UHFFFAOYSA-N
MW337.93 g/mol
LogP3.94
Rot. Bonds6

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

2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol (PubChem CID 139941557) has the molecular formula C16H24ClN3OSi and a molecular weight of 337.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol
PubChem CID139941557
Molecular FormulaC16H24ClN3OSi
Molecular Weight337.93 g/mol
Exact Mass337.14
IUPAC Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol
SMILESCCC(C(O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C
InChIInChI=1S/C16H24ClN3OSi/c1-5-15(22(2,3)4)16(21,10-20-12-18-11-19-20)13-6-8-14(17)9-7-13/h6-9,11-12,15,21H,5,10H2,1-4H3
InChIKeyXITFDBXATBYQTE-UHFFFAOYSA-N
XLogP3.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.93
LogP ≤ 53.94
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

(2R,3R)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-(triazol-2-yl)butan-2-ol
CID 10313850
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
(2R,3R)-2-(4-chlorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10712647
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
(2S,3R)-2-(4-chlorophenyl)-4-methyl-3-(1,2,4-triazol-1-ylmethyl)pentane-2,3-diol
CID 3007691
1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butane-2,3-diol
CID 15197548
(2S,3R)-2-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-2,3-diol
CID 3007709
2-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68910140
(2S)-1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
CID 11233774
(2R,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CID 3007682
(3R)-4-(4-chlorophenyl)-3-methyl-5-(1,2,4-triazol-1-yl)-4-trimethylsilyloxypentan-2-ol
CID 67940316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol (CID 139941557) is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol is CCC(C(O)(Cn1cncn1)c1ccc(Cl)cc1)[Si](C)(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol?
The InChIKey is XITFDBXATBYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3OSi/c1-5-15(22(2,3)4)16(21,10-20-12-18-11-19-20)13-6-8-14(17)9-7-13/h6-9,11-12,15,21H,5,10H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol?
2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpentan-2-ol has a molecular weight of 337.93 g/mol, XLogP of 3.94, 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-trimethylsilylpentan-2-ol is sourced from PubChem (CID 139941557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).