benzotriazol-1-yl-(2-ethoxyphenyl)methanone

C15H13N3O2 — CID 3418628

IUPACbenzotriazol-1-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3
InChIKeyQHQSBHCDPMVQQT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.52
Rot. Bonds3

About benzotriazol-1-yl-(2-ethoxyphenyl)methanone

benzotriazol-1-yl-(2-ethoxyphenyl)methanone (PubChem CID 3418628) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is benzotriazol-1-yl-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(2-ethoxyphenyl)methanone
PubChem CID3418628
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namebenzotriazol-1-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nnc2ccccc21
InChIInChI=1S/C15H13N3O2/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3
InChIKeyQHQSBHCDPMVQQT-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzotriazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954258
N-[2-(benzotriazole-1-carbonyl)phenyl]acetamide
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1-(benzotriazol-1-yl)-2-(2-methoxyphenyl)ethanone
CID 1202370
benzotriazol-1-yl-[4-(2-phenoxyethoxy)phenyl]methanone
CID 4952668
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
1-(benzotriazol-1-yl)-2-(2-fluorophenoxy)ethanone
CID 751346
benzotriazol-1-yl-[4-(2-methylpropoxy)phenyl]methanone
CID 4937009
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
benzotriazol-1-yl-(3-phenyl-2-phenylmethoxyphenyl)methanone
CID 25068065
lithium 1-[(Z)-1-ethoxyprop-1-enyl]benzotriazole
CID 23691160
3-(2-ethoxybenzoyl)-1,3-benzoxazol-2-one
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2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(2-ethoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(2-ethoxyphenyl)methanone (CID 3418628) is benzotriazol-1-yl-(2-ethoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(2-ethoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(2-ethoxyphenyl)methanone?
The InChIKey is QHQSBHCDPMVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3.
What are the key properties of benzotriazol-1-yl-(2-ethoxyphenyl)methanone?
benzotriazol-1-yl-(2-ethoxyphenyl)methanone has a molecular weight of 267.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 3418628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).