2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone

C16H15N3O2 — CID 155564904

IUPAC2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
SMILESCc1cc2nnn(CC(=O)c3ccccc3O)c2cc1C
InChIInChI=1S/C16H15N3O2/c1-10-7-13-14(8-11(10)2)19(18-17-13)9-16(21)12-5-3-4-6-15(12)20/h3-8,20H,9H2,1-2H3
InChIKeyDTMYJWIVVRZAAX-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone

2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone (PubChem CID 155564904) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
PubChem CID155564904
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
SMILESCc1cc2nnn(CC(=O)c3ccccc3O)c2cc1C
InChIInChI=1S/C16H15N3O2/c1-10-7-13-14(8-11(10)2)19(18-17-13)9-16(21)12-5-3-4-6-15(12)20/h3-8,20H,9H2,1-2H3
InChIKeyDTMYJWIVVRZAAX-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(5-Fluorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 11065065
(2-Hydroxyphenyl)-[5-(trifluoromethyl)benzotriazol-1-yl]methanone
CID 11109578
(2-Hydroxyphenyl)-(5-phenylbenzotriazol-1-yl)methanone
CID 11782023
2-(Benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155520978
2-(5,6-Dimethylbenzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 155560899
3-(Benzotriazol-1-ylmethyl)-1,8-dihydroxyanthracene-9,10-dione
CID 162669811
2-hydroxy-5-[(3Z)-3-[hydroxy(phenyl)methylidene]-2-(1-methylbenzotriazol-5-yl)-4,5-dioxopyrrolidin-1-yl]benzoic acid
CID 172445323
1-(2-(1H-1,2,3-Benzotriazol-1-ylmethoxy)phenyl)ethanone
CID 3279303
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(5-fluoro-2-hydroxyphenyl)prop-2-en-1-one
CID 139217777
(E)-3-[4-(benzotriazol-1-yl)phenyl]-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 139217770

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone (CID 155564904) is 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone is Cc1cc2nnn(CC(=O)c3ccccc3O)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
The InChIKey is DTMYJWIVVRZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-13-14(8-11(10)2)19(18-17-13)9-16(21)12-5-3-4-6-15(12)20/h3-8,20H,9H2,1-2H3.
What are the key properties of 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone has a molecular weight of 281.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 155564904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).