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

C14H11N3O2 — CID 155520978

IUPAC2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
SMILESO=C(Cn1nnc2ccccc21)c1ccccc1O
InChIInChI=1S/C14H11N3O2/c18-13-8-4-1-5-10(13)14(19)9-17-12-7-3-2-6-11(12)15-16-17/h1-8,18H,9H2
InChIKeyNBWCVABTCXAVPE-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds3

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

2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone (PubChem CID 155520978) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
PubChem CID155520978
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
SMILESO=C(Cn1nnc2ccccc21)c1ccccc1O
InChIInChI=1S/C14H11N3O2/c18-13-8-4-1-5-10(13)14(19)9-17-12-7-3-2-6-11(12)15-16-17/h1-8,18H,9H2
InChIKeyNBWCVABTCXAVPE-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-1,2,3-Benzotriazol-1-ylmethyl)phenol
CID 3491594
4-[(1H-1,2,3-benzotriazol-1-yl)methyl]benzoic acid
CID 7131154
Benzotriazol-1-yl-(4-hydroxyphenyl)methanone
CID 3708210
(2-Hydroxyphenyl)-(5-methylbenzotriazol-1-yl)methanone
CID 10243969
2-Benzotriazolyl-1-(4-methoxyphenyl)ethan-1-one
CID 3812150
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
(5-Chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 10967695
(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-(5,6-Dimethylbenzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone
CID 155564904
[5-[2-(Benzotriazol-1-yl)ethyl]tetrazol-2-yl]-(2-hydroxyphenyl)methanone
CID 16076174

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone (CID 155520978) is 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone is O=C(Cn1nnc2ccccc21)c1ccccc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
The InChIKey is NBWCVABTCXAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13-8-4-1-5-10(13)14(19)9-17-12-7-3-2-6-11(12)15-16-17/h1-8,18H,9H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone?
2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone has a molecular weight of 253.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 155520978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).