2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol

C15H13N3O — CID 14418977

IUPAC2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O/c1-10(2)11-7-8-15(19)14(9-11)18-16-12-5-3-4-6-13(12)17-18/h3-9,19H,1H2,2H3
InChIKeyQHHYBCHKFFWUCH-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.16
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol

2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol (PubChem CID 14418977) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol
PubChem CID14418977
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O/c1-10(2)11-7-8-15(19)14(9-11)18-16-12-5-3-4-6-13(12)17-18/h3-9,19H,1H2,2H3
InChIKeyQHHYBCHKFFWUCH-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.16
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-prop-1-en-2-ylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol (CID 14418977) is 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol is C=C(C)c1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol?
The InChIKey is QHHYBCHKFFWUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10(2)11-7-8-15(19)14(9-11)18-16-12-5-3-4-6-13(12)17-18/h3-9,19H,1H2,2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol?
2-(benzotriazol-2-yl)-4-prop-1-en-2-ylphenol has a molecular weight of 251.29 g/mol, XLogP of 3.16, 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-prop-1-en-2-ylphenol is sourced from PubChem (CID 14418977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).