2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol

C15H19N3O — CID 136716608

IUPAC2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol
SMILESC=CC(C1CCCCC1)n1nc2cccc(O)c2n1
InChIInChI=1S/C15H19N3O/c1-2-13(11-7-4-3-5-8-11)18-16-12-9-6-10-14(19)15(12)17-18/h2,6,9-11,13,19H,1,3-5,7-8H2
InChIKeyPGEYROXLLKWISY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.44
Rot. Bonds3

About 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol

2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol (PubChem CID 136716608) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol.

Molecular Properties

Compound Name2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol
PubChem CID136716608
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol
SMILESC=CC(C1CCCCC1)n1nc2cccc(O)c2n1
InChIInChI=1S/C15H19N3O/c1-2-13(11-7-4-3-5-8-11)18-16-12-9-6-10-14(19)15(12)17-18/h2,6,9-11,13,19H,1,3-5,7-8H2
InChIKeyPGEYROXLLKWISY-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol?
The IUPAC name of 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol (CID 136716608) is 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol.
What is the SMILES notation for 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol?
The canonical SMILES for 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol is C=CC(C1CCCCC1)n1nc2cccc(O)c2n1.
What is the InChIKey of 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol?
The InChIKey is PGEYROXLLKWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-13(11-7-4-3-5-8-11)18-16-12-9-6-10-14(19)15(12)17-18/h2,6,9-11,13,19H,1,3-5,7-8H2.
What are the key properties of 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol?
2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol has a molecular weight of 257.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylprop-2-enyl)benzotriazol-4-ol is sourced from PubChem (CID 136716608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).