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

C23H17N3O — CID 4265671

IUPAC1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1ccccc1)n1nc2ccccc2n1
InChIInChI=1S/C23H17N3O/c27-21-15-14-16-8-4-5-11-18(16)22(21)23(17-9-2-1-3-10-17)26-24-19-12-6-7-13-20(19)25-26/h1-15,23,27H
InChIKeyFPFKRRWGVZUXAJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.93
Rot. Bonds3

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

1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol (PubChem CID 4265671) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol
PubChem CID4265671
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1ccccc1)n1nc2ccccc2n1
InChIInChI=1S/C23H17N3O/c27-21-15-14-16-8-4-5-11-18(16)22(21)23(17-9-2-1-3-10-17)26-24-19-12-6-7-13-20(19)25-26/h1-15,23,27H
InChIKeyFPFKRRWGVZUXAJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol (CID 4265671) is 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(c1ccccc1)n1nc2ccccc2n1.
What is the InChIKey of 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol?
The InChIKey is FPFKRRWGVZUXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-21-15-14-16-8-4-5-11-18(16)22(21)23(17-9-2-1-3-10-17)26-24-19-12-6-7-13-20(19)25-26/h1-15,23,27H.
What are the key properties of 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol?
1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-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 1-[benzotriazol-2-yl(phenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 4265671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).