[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate

C13H9N3O3 — CID 163422814

IUPAC[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate
SMILESO=COc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C13H9N3O3/c17-8-19-9-5-6-12(13(18)7-9)16-14-10-3-1-2-4-11(10)15-16/h1-8,18H
InChIKeyAJXDRXLAGWAEGX-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.66
Rot. Bonds3

About [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate

[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate (PubChem CID 163422814) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate.

Molecular Properties

Compound Name[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate
PubChem CID163422814
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate
SMILESO=COc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C13H9N3O3/c17-8-19-9-5-6-12(13(18)7-9)16-14-10-3-1-2-4-11(10)15-16/h1-8,18H
InChIKeyAJXDRXLAGWAEGX-UHFFFAOYSA-N
XLogP1.66
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-2-yl)-5-[[4,6-bis[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-1,3,5-triazin-2-yl]oxy]phenol
CID 70287304
2-(benzotriazol-2-yl)-5-(1-hydroxyethoxy)phenol
CID 23459163
CID 18720529
CID 18720529
2-(benzotriazol-2-yl)-5-buta-1,3-diynoxyphenol
CID 163624340
[4-(benzotriazol-2-yl)-3-hydroxyphenyl] 4-chlorobenzoate
CID 18781765
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194
2-(benzotriazol-2-yl)-5-[3-(4-ethenylphenoxy)-2-hydroxypropoxy]phenol
CID 20823273
2-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]ethyl 2-methylprop-2-enoate
CID 23454979
2-(benzotriazol-2-yl)-5-(2-methylprop-1-enoxymethyl)phenol
CID 151025123
(3-hydroxy-4-sulfanylphenyl) formate
CID 174696612
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
CID 142563864

Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate?
The IUPAC name of [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate (CID 163422814) is [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate.
What is the SMILES notation for [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate?
The canonical SMILES for [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate is O=COc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate?
The InChIKey is AJXDRXLAGWAEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-8-19-9-5-6-12(13(18)7-9)16-14-10-3-1-2-4-11(10)15-16/h1-8,18H.
What are the key properties of [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate?
[4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate has a molecular weight of 255.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-2-yl)-3-hydroxyphenyl] formate is sourced from PubChem (CID 163422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).