2-(benzotriazol-2-yl)-4-ethenylphenol

C14H11N3O — CID 14418980

IUPAC2-(benzotriazol-2-yl)-4-ethenylphenol
SMILESC=Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O/c1-2-10-7-8-14(18)13(9-10)17-15-11-5-3-4-6-12(11)16-17/h2-9,18H,1H2
InChIKeyRBUACGOFWUSJNX-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.77
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-ethenylphenol

2-(benzotriazol-2-yl)-4-ethenylphenol (PubChem CID 14418980) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-ethenylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-ethenylphenol
PubChem CID14418980
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(benzotriazol-2-yl)-4-ethenylphenol
SMILESC=Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O/c1-2-10-7-8-14(18)13(9-10)17-15-11-5-3-4-6-12(11)16-17/h2-9,18H,1H2
InChIKeyRBUACGOFWUSJNX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-ethenylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-ethenylphenol (CID 14418980) is 2-(benzotriazol-2-yl)-4-ethenylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-ethenylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-ethenylphenol is C=Cc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-ethenylphenol?
The InChIKey is RBUACGOFWUSJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-10-7-8-14(18)13(9-10)17-15-11-5-3-4-6-12(11)16-17/h2-9,18H,1H2.
What are the key properties of 2-(benzotriazol-2-yl)-4-ethenylphenol?
2-(benzotriazol-2-yl)-4-ethenylphenol has a molecular weight of 237.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-ethenylphenol is sourced from PubChem (CID 14418980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).