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

C15H13N3O2 — CID 1202370

IUPAC1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-20-14-9-5-2-6-11(14)10-15(19)18-13-8-4-3-7-12(13)16-17-18/h2-9H,10H2,1H3
InChIKeyDHHUZCBTEYUMHZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.32
Rot. Bonds3

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

1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 1202370) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID1202370
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-20-14-9-5-2-6-11(14)10-15(19)18-13-8-4-3-7-12(13)16-17-18/h2-9H,10H2,1H3
InChIKeyDHHUZCBTEYUMHZ-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzotriazol-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 58271079
1-(benzimidazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 3253388
1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
CID 751346
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 8975811
benzotriazol-1-yl-(2-ethoxyphenyl)methanone
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(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
(3S)-3-amino-1-(benzotriazol-1-yl)pentane-1,4-dione
CID 121390098
benzotriazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954258
(E)-3-amino-2-(benzotriazol-1-yl)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 156773387
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
methyl (E)-3-(benzotriazol-1-yl)but-2-enoate
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methyl 6-(benzotriazole-1-carbonyl)pyridine-2-carboxylate
CID 121304473

Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone (CID 1202370) is 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)n1nnc2ccccc21.
What is the InChIKey of 1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is DHHUZCBTEYUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-9-5-2-6-11(14)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-methoxyphenyl)ethanone?
1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 2.32, 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-methoxyphenyl)ethanone is sourced from PubChem (CID 1202370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).