2-(benzotriazol-2-yl)-4-prop-1-enylphenol

C15H13N3O — CID 172745100

IUPAC2-(benzotriazol-2-yl)-4-prop-1-enylphenol
SMILESCC=Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O/c1-2-5-11-8-9-15(19)14(10-11)18-16-12-6-3-4-7-13(12)17-18/h2-10,19H,1H3
InChIKeyJPQHJKJKXWLTEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.16
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-prop-1-enylphenol

2-(benzotriazol-2-yl)-4-prop-1-enylphenol (PubChem CID 172745100) 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-enylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-prop-1-enylphenol
PubChem CID172745100
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(benzotriazol-2-yl)-4-prop-1-enylphenol
SMILESCC=Cc1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O/c1-2-5-11-8-9-15(19)14(10-11)18-16-12-6-3-4-7-13(12)17-18/h2-10,19H,1H3
InChIKeyJPQHJKJKXWLTEY-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-enylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-prop-1-enylphenol (CID 172745100) is 2-(benzotriazol-2-yl)-4-prop-1-enylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-prop-1-enylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-prop-1-enylphenol is CC=Cc1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-prop-1-enylphenol?
The InChIKey is JPQHJKJKXWLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-5-11-8-9-15(19)14(10-11)18-16-12-6-3-4-7-13(12)17-18/h2-10,19H,1H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-prop-1-enylphenol?
2-(benzotriazol-2-yl)-4-prop-1-enylphenol 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-enylphenol is sourced from PubChem (CID 172745100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).