2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol

C16H15N3O — CID 735573

IUPAC2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol
SMILESC=CCc1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3
InChIKeyYKONWVIRECCMQE-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.16
Rot. Bonds3

About 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol

2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol (PubChem CID 735573) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol
PubChem CID735573
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol
SMILESC=CCc1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3
InChIKeyYKONWVIRECCMQE-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol (CID 735573) is 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol is C=CCc1cc(C)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol?
The InChIKey is YKONWVIRECCMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol?
2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol has a molecular weight of 265.32 g/mol, XLogP of 3.16, 3 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-methyl-6-prop-2-enylphenol is sourced from PubChem (CID 735573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).