benzotriazol-1-yl-(4-ethoxyphenyl)methanone

C15H13N3O2 — CID 743718

IUPACbenzotriazol-1-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-2-20-12-9-7-11(8-10-12)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-10H,2H2,1H3
InChIKeyGEIYGJHAIMUPEF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.52
Rot. Bonds3

About benzotriazol-1-yl-(4-ethoxyphenyl)methanone

benzotriazol-1-yl-(4-ethoxyphenyl)methanone (PubChem CID 743718) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is benzotriazol-1-yl-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(4-ethoxyphenyl)methanone
PubChem CID743718
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namebenzotriazol-1-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-2-20-12-9-7-11(8-10-12)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-10H,2H2,1H3
InChIKeyGEIYGJHAIMUPEF-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

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
CID 743712
Benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone
CID 743706
Benzotriazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
CID 743877
1-Propanone, 1-[4-[3-(1H-1,2,3-benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]-
CID 5295166
4-(4-Acetylphenoxy)-1-(benzotriazol-1-yl)butan-1-one
CID 2087132
1-[4-[3-(Benzotriazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 2917526
Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
3-(3-Benzotriazol-1-ylmethyl-4-methoxy-phenyl)-1-(4-methoxy-phenyl)-propenone
CID 5766646
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-Benzotriazolyl-1-(4-methoxyphenyl)ethan-1-one
CID 3812150
1,3-Benzodioxol-5-yl(benzotriazol-1-yl)methanone
CID 737680

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(4-ethoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(4-ethoxyphenyl)methanone (CID 743718) is benzotriazol-1-yl-(4-ethoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(4-ethoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)n2nnc3ccccc32)cc1.
What is the InChIKey of benzotriazol-1-yl-(4-ethoxyphenyl)methanone?
The InChIKey is GEIYGJHAIMUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-12-9-7-11(8-10-12)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-10H,2H2,1H3.
What are the key properties of benzotriazol-1-yl-(4-ethoxyphenyl)methanone?
benzotriazol-1-yl-(4-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-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 743718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).