2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol

C19H21N3O — CID 18388796

IUPAC2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol
SMILESC=CC(CCC)c1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C19H21N3O/c1-4-8-14(5-2)15-11-13(3)12-18(19(15)23)22-20-16-9-6-7-10-17(16)21-22/h5-7,9-12,14,23H,2,4,8H2,1,3H3
InChIKeyGCWORFOLFPIREV-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.50
Rot. Bonds5

About 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol

2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol (PubChem CID 18388796) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol
PubChem CID18388796
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol
SMILESC=CC(CCC)c1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIInChI=1S/C19H21N3O/c1-4-8-14(5-2)15-11-13(3)12-18(19(15)23)22-20-16-9-6-7-10-17(16)21-22/h5-7,9-12,14,23H,2,4,8H2,1,3H3
InChIKeyGCWORFOLFPIREV-UHFFFAOYSA-N
XLogP4.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-2-yl)-4-methyl-6-[(E)-oct-3-en-2-yl]phenol
CID 15486116
2-(benzotriazol-2-yl)-4-methyl-6-(1-phenylpropan-2-yl)phenol
CID 135235557
2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
2-(benzotriazol-2-yl)-4,6-di(butan-2-yl)phenol
CID 19419984
2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
CID 148702623
2-(benzotriazol-2-yl)-4-butan-2-yl-6-(1-phenylethyl)phenol
CID 22758321
1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-methylprop-2-en-1-one
CID 71581988
1-[amino-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]cyclohexane-1,2-dicarboxylic acid
CID 118112386
2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
sodium;3-(benzotriazol-2-yl)-5-butan-2-yl-4-hydroxybenzenesulfonic acid;hydride
CID 173057927
1,3-bis[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]imidazolidin-2-one
CID 139995346
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol (CID 18388796) is 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol is C=CC(CCC)c1cc(C)cc(-n2nc3ccccc3n2)c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol?
The InChIKey is GCWORFOLFPIREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-8-14(5-2)15-11-13(3)12-18(19(15)23)22-20-16-9-6-7-10-17(16)21-22/h5-7,9-12,14,23H,2,4,8H2,1,3H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol?
2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol has a molecular weight of 307.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-hex-1-en-3-yl-4-methylphenol is sourced from PubChem (CID 18388796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).