2-phenyl-2-(4-propyltriazol-1-yl)ethanol

C13H17N3O — CID 50905416

IUPAC2-phenyl-2-(4-propyltriazol-1-yl)ethanol
SMILESCCCc1cn(C(CO)c2ccccc2)nn1
InChIInChI=1S/C13H17N3O/c1-2-6-12-9-16(15-14-12)13(10-17)11-7-4-3-5-8-11/h3-5,7-9,13,17H,2,6,10H2,1H3
InChIKeyURIICBGJFVZZKW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.81
Rot. Bonds5

About 2-phenyl-2-(4-propyltriazol-1-yl)ethanol

2-phenyl-2-(4-propyltriazol-1-yl)ethanol (PubChem CID 50905416) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-phenyl-2-(4-propyltriazol-1-yl)ethanol.

Molecular Properties

Compound Name2-phenyl-2-(4-propyltriazol-1-yl)ethanol
PubChem CID50905416
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-phenyl-2-(4-propyltriazol-1-yl)ethanol
SMILESCCCc1cn(C(CO)c2ccccc2)nn1
InChIInChI=1S/C13H17N3O/c1-2-6-12-9-16(15-14-12)13(10-17)11-7-4-3-5-8-11/h3-5,7-9,13,17H,2,6,10H2,1H3
InChIKeyURIICBGJFVZZKW-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol
CID 132505048
methyl (2S)-3-phenyl-2-(4-propyltriazol-1-yl)propanoate
CID 102385646
2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
CID 130403970
(2S)-2-[4-[(2-bromo-4-nitrophenoxy)methyl]triazol-1-yl]-2-phenylethanol
CID 22770768
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
methyl 4-[4-[[bis[[1-(4-methoxy-3,3-dimethyl-4-oxo-1-phenylbutyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]-2,2-dimethyl-4-phenylbutanoate
CID 66598733
methane;methyl 4-[4-[[bis[[1-(4-methoxy-3,3-dimethyl-4-oxo-1-phenylbutyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]-2,2-dimethyl-4-phenylbutanoate
CID 161353730
ethane;1-methyl-4-propyltriazole
CID 168923376
2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
CID 62901797
4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole
CID 95206657
4-butyl-1-phenyltriazole
CID 25191665
2,6-bis[(4-propyltriazol-1-yl)methyl]pyridine
CID 102194981

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(4-propyltriazol-1-yl)ethanol?
The IUPAC name of 2-phenyl-2-(4-propyltriazol-1-yl)ethanol (CID 50905416) is 2-phenyl-2-(4-propyltriazol-1-yl)ethanol.
What is the SMILES notation for 2-phenyl-2-(4-propyltriazol-1-yl)ethanol?
The canonical SMILES for 2-phenyl-2-(4-propyltriazol-1-yl)ethanol is CCCc1cn(C(CO)c2ccccc2)nn1.
What is the InChIKey of 2-phenyl-2-(4-propyltriazol-1-yl)ethanol?
The InChIKey is URIICBGJFVZZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-6-12-9-16(15-14-12)13(10-17)11-7-4-3-5-8-11/h3-5,7-9,13,17H,2,6,10H2,1H3.
What are the key properties of 2-phenyl-2-(4-propyltriazol-1-yl)ethanol?
2-phenyl-2-(4-propyltriazol-1-yl)ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(4-propyltriazol-1-yl)ethanol is sourced from PubChem (CID 50905416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).