2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol

C19H27N3OSi — CID 101406679

IUPAC2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol
SMILESCCCC(C#C[Si](C)(C)C)n1cc(C(O)Cc2ccccc2)nn1
InChIInChI=1S/C19H27N3OSi/c1-5-9-17(12-13-24(2,3)4)22-15-18(20-21-22)19(23)14-16-10-7-6-8-11-16/h6-8,10-11,15,17,19,23H,5,9,14H2,1-4H3
InChIKeyASUACNLZZVCPHZ-UHFFFAOYSA-N
MW341.53 g/mol
LogP3.78
Rot. Bonds6

About 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol

2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol (PubChem CID 101406679) has the molecular formula C19H27N3OSi and a molecular weight of 341.53 g/mol. Its IUPAC name is 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol
PubChem CID101406679
Molecular FormulaC19H27N3OSi
Molecular Weight341.53 g/mol
Exact Mass341.19
IUPAC Name2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol
SMILESCCCC(C#C[Si](C)(C)C)n1cc(C(O)Cc2ccccc2)nn1
InChIInChI=1S/C19H27N3OSi/c1-5-9-17(12-13-24(2,3)4)22-15-18(20-21-22)19(23)14-16-10-7-6-8-11-16/h6-8,10-11,15,17,19,23H,5,9,14H2,1-4H3
InChIKeyASUACNLZZVCPHZ-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol with MolForge

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Related Compounds

1-phenylhexane-2,3-diol
CID 68731092
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]-2-phenylethanol
CID 146135452
1-(1-pentan-2-yltriazol-4-yl)propan-1-ol
CID 107886610
(3R,4S)-3-(phenylsulfanylmethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 101124004
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
3-methyl-1-phenylhexan-2-ol
CID 63018482
5-phenylmethoxy-1-trimethylsilylpent-1-yn-3-ol
CID 57078353
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
ethyl 2-benzyl-3-hydroxyhexanoate
CID 134853996
methyl (2S)-3-phenyl-2-(4-propyltriazol-1-yl)propanoate
CID 102385646
2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide
CID 167962205
(3S)-N,N-dibenzyl-1-trimethylsilylhept-1-yn-3-amine
CID 11473957

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol?
The IUPAC name of 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol (CID 101406679) is 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol?
The canonical SMILES for 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol is CCCC(C#C[Si](C)(C)C)n1cc(C(O)Cc2ccccc2)nn1.
What is the InChIKey of 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol?
The InChIKey is ASUACNLZZVCPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OSi/c1-5-9-17(12-13-24(2,3)4)22-15-18(20-21-22)19(23)14-16-10-7-6-8-11-16/h6-8,10-11,15,17,19,23H,5,9,14H2,1-4H3.
What are the key properties of 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol?
2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol has a molecular weight of 341.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[1-(1-trimethylsilylhex-1-yn-3-yl)triazol-4-yl]ethanol is sourced from PubChem (CID 101406679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).