2-[3-(benzotriazol-2-yl)phenyl]ethenol

C14H11N3O — CID 70429689

IUPAC2-[3-(benzotriazol-2-yl)phenyl]ethenol
SMILESOC=Cc1cccc(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O/c18-9-8-11-4-3-5-12(10-11)17-15-13-6-1-2-7-14(13)16-17/h1-10,18H
InChIKeyKMSJRJJREDJBHP-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.95
Rot. Bonds2

About 2-[3-(benzotriazol-2-yl)phenyl]ethenol

2-[3-(benzotriazol-2-yl)phenyl]ethenol (PubChem CID 70429689) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[3-(benzotriazol-2-yl)phenyl]ethenol.

Molecular Properties

Compound Name2-[3-(benzotriazol-2-yl)phenyl]ethenol
PubChem CID70429689
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-[3-(benzotriazol-2-yl)phenyl]ethenol
SMILESOC=Cc1cccc(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O/c18-9-8-11-4-3-5-12(10-11)17-15-13-6-1-2-7-14(13)16-17/h1-10,18H
InChIKeyKMSJRJJREDJBHP-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzotriazol-2-yl)phenyl]ethenol?
The IUPAC name of 2-[3-(benzotriazol-2-yl)phenyl]ethenol (CID 70429689) is 2-[3-(benzotriazol-2-yl)phenyl]ethenol.
What is the SMILES notation for 2-[3-(benzotriazol-2-yl)phenyl]ethenol?
The canonical SMILES for 2-[3-(benzotriazol-2-yl)phenyl]ethenol is OC=Cc1cccc(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-[3-(benzotriazol-2-yl)phenyl]ethenol?
The InChIKey is KMSJRJJREDJBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-9-8-11-4-3-5-12(10-11)17-15-13-6-1-2-7-14(13)16-17/h1-10,18H.
What are the key properties of 2-[3-(benzotriazol-2-yl)phenyl]ethenol?
2-[3-(benzotriazol-2-yl)phenyl]ethenol has a molecular weight of 237.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzotriazol-2-yl)phenyl]ethenol is sourced from PubChem (CID 70429689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).