1-(2-phenyltriazol-4-yl)octan-1-ol

C16H23N3O — CID 105085087

IUPAC1-(2-phenyltriazol-4-yl)octan-1-ol
SMILESCCCCCCCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-2-3-4-5-9-12-16(20)15-13-17-19(18-15)14-10-7-6-8-11-14/h6-8,10-11,13,16,20H,2-5,9,12H2,1H3
InChIKeySBIVYJNLEYDWAV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.66
Rot. Bonds8

About 1-(2-phenyltriazol-4-yl)octan-1-ol

1-(2-phenyltriazol-4-yl)octan-1-ol (PubChem CID 105085087) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-phenyltriazol-4-yl)octan-1-ol.

Molecular Properties

Compound Name1-(2-phenyltriazol-4-yl)octan-1-ol
PubChem CID105085087
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-phenyltriazol-4-yl)octan-1-ol
SMILESCCCCCCCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H23N3O/c1-2-3-4-5-9-12-16(20)15-13-17-19(18-15)14-10-7-6-8-11-14/h6-8,10-11,13,16,20H,2-5,9,12H2,1H3
InChIKeySBIVYJNLEYDWAV-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 707096
1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3,4-tetrol
CID 228106
4-(Butoxymethyl)-2-phenyltriazole
CID 145973177
(1R,2S,3R)-4-amino-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
CID 7129404
(1R)-1-(2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-ol
CID 145915711
(2-(4-Fluorophenyl)-2h-1,2,3-triazole-4-yl)methanol
CID 44819389
4-amino-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
CID 4962670
1-[2-(2-Fluorophenyl)-2H-1,2,3-triazol-4-yl]-1,2,3,4-butanetetrol
CID 606076
[2-(2,5-Difluorophenyl)triazol-4-yl]methanol
CID 156370637
(1R,2S,3R)-1-(2-phenyltriazol-4-yl)butane-1,2,3,4-tetrol
CID 7106948
1,2,3,4-Butanetetrol, 1-[2-(2-fluorophenyl)-2H-1,2,3-triazol-4-yl]-, [1R-(1R*,2S*,3R*)]-
CID 186649
2-(4-Fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105077058

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyltriazol-4-yl)octan-1-ol?
The IUPAC name of 1-(2-phenyltriazol-4-yl)octan-1-ol (CID 105085087) is 1-(2-phenyltriazol-4-yl)octan-1-ol.
What is the SMILES notation for 1-(2-phenyltriazol-4-yl)octan-1-ol?
The canonical SMILES for 1-(2-phenyltriazol-4-yl)octan-1-ol is CCCCCCCC(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyltriazol-4-yl)octan-1-ol?
The InChIKey is SBIVYJNLEYDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-4-5-9-12-16(20)15-13-17-19(18-15)14-10-7-6-8-11-14/h6-8,10-11,13,16,20H,2-5,9,12H2,1H3.
What are the key properties of 1-(2-phenyltriazol-4-yl)octan-1-ol?
1-(2-phenyltriazol-4-yl)octan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyltriazol-4-yl)octan-1-ol is sourced from PubChem (CID 105085087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).