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

C13H9N3O2 — CID 3708210

IUPACbenzotriazol-1-yl-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1nnc2ccccc21
InChIInChI=1S/C13H9N3O2/c17-10-7-5-9(6-8-10)13(18)16-12-4-2-1-3-11(12)14-15-16/h1-8,17H
InChIKeyVNEIZWGICQGELR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.83
Rot. Bonds1

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

benzotriazol-1-yl-(4-hydroxyphenyl)methanone (PubChem CID 3708210) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is benzotriazol-1-yl-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(4-hydroxyphenyl)methanone
PubChem CID3708210
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namebenzotriazol-1-yl-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)n1nnc2ccccc21
InChIInChI=1S/C13H9N3O2/c17-10-7-5-9(6-8-10)13(18)16-12-4-2-1-3-11(12)14-15-16/h1-8,17H
InChIKeyVNEIZWGICQGELR-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(4-hydroxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(4-hydroxyphenyl)methanone (CID 3708210) is benzotriazol-1-yl-(4-hydroxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(4-hydroxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(4-hydroxyphenyl)methanone?
The InChIKey is VNEIZWGICQGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-10-7-5-9(6-8-10)13(18)16-12-4-2-1-3-11(12)14-15-16/h1-8,17H.
What are the key properties of benzotriazol-1-yl-(4-hydroxyphenyl)methanone?
benzotriazol-1-yl-(4-hydroxyphenyl)methanone has a molecular weight of 239.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 3708210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).