2-(benzotriazol-1-ylmethyl)phenol

C13H11N3O — CID 3491594

IUPAC2-(benzotriazol-1-ylmethyl)phenol
SMILESOc1ccccc1Cn1nnc2ccccc21
InChIInChI=1S/C13H11N3O/c17-13-8-4-1-5-10(13)9-16-12-7-3-2-6-11(12)14-15-16/h1-8,17H,9H2
InChIKeyCFXOATFGYAMSIQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.19
Rot. Bonds2

About 2-(benzotriazol-1-ylmethyl)phenol

2-(benzotriazol-1-ylmethyl)phenol (PubChem CID 3491594) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(benzotriazol-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-1-ylmethyl)phenol
PubChem CID3491594
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-(benzotriazol-1-ylmethyl)phenol
SMILESOc1ccccc1Cn1nnc2ccccc21
InChIInChI=1S/C13H11N3O/c17-13-8-4-1-5-10(13)9-16-12-7-3-2-6-11(12)14-15-16/h1-8,17H,9H2
InChIKeyCFXOATFGYAMSIQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-ylmethyl)phenol?
The IUPAC name of 2-(benzotriazol-1-ylmethyl)phenol (CID 3491594) is 2-(benzotriazol-1-ylmethyl)phenol.
What is the SMILES notation for 2-(benzotriazol-1-ylmethyl)phenol?
The canonical SMILES for 2-(benzotriazol-1-ylmethyl)phenol is Oc1ccccc1Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-ylmethyl)phenol?
The InChIKey is CFXOATFGYAMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-8-4-1-5-10(13)9-16-12-7-3-2-6-11(12)14-15-16/h1-8,17H,9H2.
What are the key properties of 2-(benzotriazol-1-ylmethyl)phenol?
2-(benzotriazol-1-ylmethyl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-ylmethyl)phenol is sourced from PubChem (CID 3491594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).