1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone

C15H13N3O2 — CID 2911524

IUPAC1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-11-6-2-5-9-14(11)20-10-15(19)18-13-8-4-3-7-12(13)16-17-18/h2-9H,10H2,1H3
InChIKeyQZKADJCZQWEBHZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.46
Rot. Bonds3

About 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone

1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 2911524) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone
PubChem CID2911524
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-11-6-2-5-9-14(11)20-10-15(19)18-13-8-4-3-7-12(13)16-17-18/h2-9H,10H2,1H3
InChIKeyQZKADJCZQWEBHZ-UHFFFAOYSA-N
XLogP2.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone (CID 2911524) is 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is QZKADJCZQWEBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-11-6-2-5-9-14(11)20-10-15(19)18-13-8-4-3-7-12(13)16-17-18/h2-9H,10H2,1H3.
What are the key properties of 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone?
1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-yl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 2911524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).