[2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C17H15N3O4 — CID 2357447

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H15N3O4/c1-23-16-9-5-2-6-12(16)15(21)11-24-17(22)10-20-14-8-4-3-7-13(14)18-19-20/h2-9H,10-11H2,1H3
InChIKeyNUNIXDHWSJUFQU-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.87
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 2357447) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID2357447
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H15N3O4/c1-23-16-9-5-2-6-12(16)15(21)11-24-17(22)10-20-14-8-4-3-7-13(14)18-19-20/h2-9H,10-11H2,1H3
InChIKeyNUNIXDHWSJUFQU-UHFFFAOYSA-N
XLogP1.87
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate 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-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 2357447) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is COc1ccccc1C(=O)COC(=O)Cn1nnc2ccccc21.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is NUNIXDHWSJUFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-16-9-5-2-6-12(16)15(21)11-24-17(22)10-20-14-8-4-3-7-13(14)18-19-20/h2-9H,10-11H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 325.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 2357447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).