2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol

C23H17N3O — CID 4555826

IUPAC2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol
SMILESOc1c(C(c2ccccc2)n2nc3ccccc3n2)ccc2ccccc12
InChIInChI=1S/C23H17N3O/c27-23-18-11-5-4-8-16(18)14-15-19(23)22(17-9-2-1-3-10-17)26-24-20-12-6-7-13-21(20)25-26/h1-15,22,27H
InChIKeyQTFNOTZAKKBKBZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.93
Rot. Bonds3

About 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol

2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol (PubChem CID 4555826) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol
PubChem CID4555826
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol
SMILESOc1c(C(c2ccccc2)n2nc3ccccc3n2)ccc2ccccc12
InChIInChI=1S/C23H17N3O/c27-23-18-11-5-4-8-16(18)14-15-19(23)22(17-9-2-1-3-10-17)26-24-20-12-6-7-13-21(20)25-26/h1-15,22,27H
InChIKeyQTFNOTZAKKBKBZ-UHFFFAOYSA-N
XLogP4.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol (CID 4555826) is 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol is Oc1c(C(c2ccccc2)n2nc3ccccc3n2)ccc2ccccc12.
What is the InChIKey of 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol?
The InChIKey is QTFNOTZAKKBKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-18-11-5-4-8-16(18)14-15-19(23)22(17-9-2-1-3-10-17)26-24-20-12-6-7-13-21(20)25-26/h1-15,22,27H.
What are the key properties of 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol?
2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol has a molecular weight of 351.41 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzotriazol-2-yl(phenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 4555826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).