2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol

C14H19N3O — CID 13236903

IUPAC2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
SMILESCCCCC(O)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-3-9-14(18,10-17-12-15-11-16-17)13-7-5-4-6-8-13/h4-8,11-12,18H,2-3,9-10H2,1H3
InChIKeyJOUVJVNTWHLOJU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.36
Rot. Bonds6

About 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol

2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol (PubChem CID 13236903) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
PubChem CID13236903
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
SMILESCCCCC(O)(Cn1cncn1)c1ccccc1
InChIInChI=1S/C14H19N3O/c1-2-3-9-14(18,10-17-12-15-11-16-17)13-7-5-4-6-8-13/h4-8,11-12,18H,2-3,9-10H2,1H3
InChIKeyJOUVJVNTWHLOJU-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)decan-2-ol
CID 57249725
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 40634096
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
1,1-dimethoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 13491628
(2S,3R)-2-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-2,3-diol
CID 3007709
2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol;hydrate
CID 70527557
1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 71258978
1-(4-chlorophenyl)-2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 22905746
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 150440123

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol?
The IUPAC name of 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol (CID 13236903) is 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol.
What is the SMILES notation for 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol?
The canonical SMILES for 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol is CCCCC(O)(Cn1cncn1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol?
The InChIKey is JOUVJVNTWHLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-9-14(18,10-17-12-15-11-16-17)13-7-5-4-6-8-13/h4-8,11-12,18H,2-3,9-10H2,1H3.
What are the key properties of 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol?
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol is sourced from PubChem (CID 13236903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).