1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole

C22H19N3O — CID 4312375

IUPAC1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole
SMILESC(=Cc1ccccc1)COC(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C22H19N3O/c1-3-10-18(11-4-1)12-9-17-26-22(19-13-5-2-6-14-19)25-21-16-8-7-15-20(21)23-24-25/h1-16,22H,17H2
InChIKeyJYEHOWGFYXJNKZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.71
Rot. Bonds6

About 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole

1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole (PubChem CID 4312375) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole.

Molecular Properties

Compound Name1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole
PubChem CID4312375
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole
SMILESC(=Cc1ccccc1)COC(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C22H19N3O/c1-3-10-18(11-4-1)12-9-17-26-22(19-13-5-2-6-14-19)25-21-16-8-7-15-20(21)23-24-25/h1-16,22H,17H2
InChIKeyJYEHOWGFYXJNKZ-UHFFFAOYSA-N
XLogP4.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
1-(1,2-diphenylethyl)benzotriazole
CID 3713183
(E)-3-(benzotriazol-1-yl)-1,5-diphenylpent-4-en-1-one
CID 53391597
[benzotriazol-1-yl(phenyl)methyl] 4-methoxybenzoate
CID 3743823
1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole
CID 3641225
1-[ethoxy(thiophen-2-yl)methyl]benzotriazole
CID 3742071
1-(benzotriazol-1-yl)-2-methyl-N-(1-phenylethyl)propan-1-amine
CID 3726579
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole?
The IUPAC name of 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole (CID 4312375) is 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole.
What is the SMILES notation for 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole?
The canonical SMILES for 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole is C(=Cc1ccccc1)COC(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole?
The InChIKey is JYEHOWGFYXJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-10-18(11-4-1)12-9-17-26-22(19-13-5-2-6-14-19)25-21-16-8-7-15-20(21)23-24-25/h1-16,22H,17H2.
What are the key properties of 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole?
1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole has a molecular weight of 341.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole is sourced from PubChem (CID 4312375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).