[4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate

C20H15N3O3 — CID 54498206

IUPAC[4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate
SMILESCOc1ccc2nn(-c3ccc(OC=O)c(-c4ccccc4)c3)nc2c1
InChIInChI=1S/C20H15N3O3/c1-25-16-8-9-18-19(12-16)22-23(21-18)15-7-10-20(26-13-24)17(11-15)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyUHRGXCPWIQAQGX-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.63
Rot. Bonds5

About [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate

[4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate (PubChem CID 54498206) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate.

Molecular Properties

Compound Name[4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate
PubChem CID54498206
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name[4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate
SMILESCOc1ccc2nn(-c3ccc(OC=O)c(-c4ccccc4)c3)nc2c1
InChIInChI=1S/C20H15N3O3/c1-25-16-8-9-18-19(12-16)22-23(21-18)15-7-10-20(26-13-24)17(11-15)14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyUHRGXCPWIQAQGX-UHFFFAOYSA-N
XLogP3.63
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate 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 [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate?
The IUPAC name of [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate (CID 54498206) is [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate.
What is the SMILES notation for [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate?
The canonical SMILES for [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate is COc1ccc2nn(-c3ccc(OC=O)c(-c4ccccc4)c3)nc2c1.
What is the InChIKey of [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate?
The InChIKey is UHRGXCPWIQAQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-16-8-9-18-19(12-16)22-23(21-18)15-7-10-20(26-13-24)17(11-15)14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate?
[4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate has a molecular weight of 345.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxybenzotriazol-2-yl)-2-phenylphenyl] formate is sourced from PubChem (CID 54498206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).