1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone

C14H11N3O3 — CID 102011466

IUPAC1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone
SMILESCC(=O)c1cc(-n2nc3ccccc3n2)c(O)cc1O
InChIInChI=1S/C14H11N3O3/c1-8(18)9-6-12(14(20)7-13(9)19)17-15-10-4-2-3-5-11(10)16-17/h2-7,19-20H,1H3
InChIKeyWGGHXAIUGCRJJW-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.03
Rot. Bonds2

About 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone

1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone (PubChem CID 102011466) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone
PubChem CID102011466
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone
SMILESCC(=O)c1cc(-n2nc3ccccc3n2)c(O)cc1O
InChIInChI=1S/C14H11N3O3/c1-8(18)9-6-12(14(20)7-13(9)19)17-15-10-4-2-3-5-11(10)16-17/h2-7,19-20H,1H3
InChIKeyWGGHXAIUGCRJJW-UHFFFAOYSA-N
XLogP2.03
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis[2,4-dihydroxy-5-(5-methylbenzotriazol-2-yl)phenyl]methanone
CID 102195712
2-(benzotriazol-2-yl)-4-prop-1-enylphenol
CID 172745100
4-[2,4-dihydroxy-5-(5-hydroxybenzotriazol-2-yl)benzoyl]-5-hydroxy-2-(5-hydroxybenzotriazol-2-yl)benzaldehyde
CID 154704586
[4-[5-(benzotriazol-2-yl)-2,4-dihydroxybenzoyl]-3-hydroxyphenyl] prop-2-enoate
CID 22964453
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
[5-(5-chlorobenzotriazol-2-yl)-2,4-dihydroxyphenyl]-(2,4-dihydroxyphenyl)methanone
CID 102195710
2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
CID 18720529
CID 18720529
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194
2-(benzotriazol-2-yl)-4-phosphanylphenol
CID 175937405
2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
CID 118468868
1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-methylprop-2-en-1-one
CID 71581988

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone?
The IUPAC name of 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone (CID 102011466) is 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone is CC(=O)c1cc(-n2nc3ccccc3n2)c(O)cc1O.
What is the InChIKey of 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone?
The InChIKey is WGGHXAIUGCRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8(18)9-6-12(14(20)7-13(9)19)17-15-10-4-2-3-5-11(10)16-17/h2-7,19-20H,1H3.
What are the key properties of 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone?
1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone has a molecular weight of 269.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzotriazol-2-yl)-2,4-dihydroxyphenyl]ethanone is sourced from PubChem (CID 102011466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).