1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole

C15H12ClN3 — CID 102308449

IUPAC1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
SMILESC=CC(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C15H12ClN3/c1-2-14(11-7-9-12(16)10-8-11)19-15-6-4-3-5-13(15)17-18-19/h2-10,14H,1H2
InChIKeyIKXDHOHMOSGNRJ-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.86
Rot. Bonds3

About 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole

1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole (PubChem CID 102308449) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
PubChem CID102308449
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole
SMILESC=CC(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C15H12ClN3/c1-2-14(11-7-9-12(16)10-8-11)19-15-6-4-3-5-13(15)17-18-19/h2-10,14H,1H2
InChIKeyIKXDHOHMOSGNRJ-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-chlorophenyl)prop-2-enyl]benzotriazole
CID 102308451
1-[1-(4-chlorophenyl)-2-phenylprop-2-enyl]benzotriazole
CID 3812930
1-(benzotriazol-1-yl)prop-2-enyliminophosphanium
CID 173283715
1-(5-chloropent-1-en-3-yl)benzotriazole
CID 4556239
N-[1,3-bis(benzotriazol-1-yl)butyl]-4-chloroaniline
CID 3657048
N-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)but-3-enyl]-4-methylaniline
CID 44890597
2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 22270396
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
2-(benzotriazol-1-yl)-1-cyclohexylbut-3-en-1-ol
CID 4680399
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
2-(4-chlorophenyl)-1-[(1S)-1-phenylprop-2-enyl]indole
CID 102231233
1-(1-chlorododecyl)benzotriazole
CID 4561404

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole?
The IUPAC name of 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole (CID 102308449) is 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole?
The canonical SMILES for 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole is C=CC(c1ccc(Cl)cc1)n1nnc2ccccc21.
What is the InChIKey of 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole?
The InChIKey is IKXDHOHMOSGNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-2-14(11-7-9-12(16)10-8-11)19-15-6-4-3-5-13(15)17-18-19/h2-10,14H,1H2.
What are the key properties of 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole?
1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole has a molecular weight of 269.74 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)prop-2-enyl]benzotriazole is sourced from PubChem (CID 102308449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).