2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone

C15H13N3O2 — CID 3528074

IUPAC2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-20-15(14(19)11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)16-17-18/h2-10,15H,1H3
InChIKeyHZLGMIPMNRBWCR-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.46
Rot. Bonds4

About 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone

2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone (PubChem CID 3528074) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone
PubChem CID3528074
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-20-15(14(19)11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)16-17-18/h2-10,15H,1H3
InChIKeyHZLGMIPMNRBWCR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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)-2-methoxy-1-phenylethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone (CID 3528074) is 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone is COC(C(=O)c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone?
The InChIKey is HZLGMIPMNRBWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(14(19)11-7-3-2-4-8-11)18-13-10-6-5-9-12(13)16-17-18/h2-10,15H,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone?
2-(benzotriazol-1-yl)-2-methoxy-1-phenylethanone has a molecular weight of 267.29 g/mol, XLogP of 2.46, 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)-2-methoxy-1-phenylethanone is sourced from PubChem (CID 3528074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).