1-[phenoxy(phenyl)methyl]benzotriazole

C19H15N3O — CID 3778951

IUPAC1-[phenoxy(phenyl)methyl]benzotriazole
SMILESc1ccc(OC(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H15N3O/c1-3-9-15(10-4-1)19(23-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20-21-22/h1-14,19H
InChIKeyISBGHQBQAYAZPQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.06
Rot. Bonds4

About 1-[phenoxy(phenyl)methyl]benzotriazole

1-[phenoxy(phenyl)methyl]benzotriazole (PubChem CID 3778951) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[phenoxy(phenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[phenoxy(phenyl)methyl]benzotriazole
PubChem CID3778951
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-[phenoxy(phenyl)methyl]benzotriazole
SMILESc1ccc(OC(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H15N3O/c1-3-9-15(10-4-1)19(23-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20-21-22/h1-14,19H
InChIKeyISBGHQBQAYAZPQ-UHFFFAOYSA-N
XLogP4.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[benzotriazol-1-yl(phenyl)methyl] 4-methoxybenzoate
CID 3743823
1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole
CID 4312375
1-(1-phenoxyhexyl)benzotriazole
CID 3453762
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
2-(benzotriazol-1-yl)-1-(oxiran-2-yl)-2-phenoxyethanol
CID 4264051
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
2-(benzotriazol-1-yl)-1-(furan-2-yl)-2-phenoxyethanone
CID 3455013
1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579
4-[benzotriazol-1-yl(phenyl)methyl]benzonitrile
CID 3409911

Frequently Asked Questions

What is the IUPAC name of 1-[phenoxy(phenyl)methyl]benzotriazole?
The IUPAC name of 1-[phenoxy(phenyl)methyl]benzotriazole (CID 3778951) is 1-[phenoxy(phenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[phenoxy(phenyl)methyl]benzotriazole?
The canonical SMILES for 1-[phenoxy(phenyl)methyl]benzotriazole is c1ccc(OC(c2ccccc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[phenoxy(phenyl)methyl]benzotriazole?
The InChIKey is ISBGHQBQAYAZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-3-9-15(10-4-1)19(23-16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20-21-22/h1-14,19H.
What are the key properties of 1-[phenoxy(phenyl)methyl]benzotriazole?
1-[phenoxy(phenyl)methyl]benzotriazole has a molecular weight of 301.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenoxy(phenyl)methyl]benzotriazole is sourced from PubChem (CID 3778951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).