2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone

C15H13N3O2 — CID 3812150

IUPAC2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-20-12-8-6-11(7-9-12)15(19)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyOSNCUPWPTJMUEY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone

2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 3812150) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID3812150
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-20-12-8-6-11(7-9-12)15(19)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
InChIKeyOSNCUPWPTJMUEY-UHFFFAOYSA-N
XLogP2.32
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone (CID 3812150) is 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is OSNCUPWPTJMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-12-8-6-11(7-9-12)15(19)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 3812150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).