1-[ethoxy-(4-methylphenyl)methyl]benzotriazole

C16H17N3O — CID 3845399

IUPAC1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
SMILESCCOC(c1ccc(C)cc1)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-3-20-16(13-10-8-12(2)9-11-13)19-15-7-5-4-6-14(15)17-18-19/h4-11,16H,3H2,1-2H3
InChIKeySHSDFFVLVFWDAX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds4

About 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole

1-[ethoxy-(4-methylphenyl)methyl]benzotriazole (PubChem CID 3845399) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
PubChem CID3845399
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
SMILESCCOC(c1ccc(C)cc1)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O/c1-3-20-16(13-10-8-12(2)9-11-13)19-15-7-5-4-6-14(15)17-18-19/h4-11,16H,3H2,1-2H3
InChIKeySHSDFFVLVFWDAX-UHFFFAOYSA-N
XLogP3.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethoxy(thiophen-2-yl)methyl]benzotriazole
CID 3742071
1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole
CID 3641225
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
1-[3,3-diethoxy-1-(3-methylphenyl)propyl]benzotriazole
CID 10497309
1-[phenyl(3-phenylprop-2-enoxy)methyl]benzotriazole
CID 4312375
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-(2,3-dibromo-1-ethoxypropyl)benzotriazole
CID 3794280
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
CID 3768632
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole?
The IUPAC name of 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole (CID 3845399) is 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole is CCOC(c1ccc(C)cc1)n1nnc2ccccc21.
What is the InChIKey of 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole?
The InChIKey is SHSDFFVLVFWDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-20-16(13-10-8-12(2)9-11-13)19-15-7-5-4-6-14(15)17-18-19/h4-11,16H,3H2,1-2H3.
What are the key properties of 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole?
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole has a molecular weight of 267.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-(4-methylphenyl)methyl]benzotriazole is sourced from PubChem (CID 3845399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).