1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole

C16H17N3O2 — CID 3641225

IUPAC1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole
SMILESCCOC(c1ccccc1OC)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-3-21-16(12-8-4-7-11-15(12)20-2)19-14-10-6-5-9-13(14)17-18-19/h4-11,16H,3H2,1-2H3
InChIKeyKQLCWEABWSEVGY-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.02
Rot. Bonds5

About 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole

1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole (PubChem CID 3641225) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole
PubChem CID3641225
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole
SMILESCCOC(c1ccccc1OC)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-3-21-16(12-8-4-7-11-15(12)20-2)19-14-10-6-5-9-13(14)17-18-19/h4-11,16H,3H2,1-2H3
InChIKeyKQLCWEABWSEVGY-UHFFFAOYSA-N
XLogP3.02
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
1-[ethoxy(thiophen-2-yl)methyl]benzotriazole
CID 3742071
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
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
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-(2-methoxyphenyl)benzotriazole
CID 53415460
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
[4-[(R)-benzotriazol-1-yl-(2-methoxyphenyl)methyl]triazol-1-yl]methyl 2,2-dimethylpropanoate;[4-[(S)-benzotriazol-1-yl-(2-methoxyphenyl)methyl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 139037754
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole?
The IUPAC name of 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole (CID 3641225) is 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole is CCOC(c1ccccc1OC)n1nnc2ccccc21.
What is the InChIKey of 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole?
The InChIKey is KQLCWEABWSEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-21-16(12-8-4-7-11-15(12)20-2)19-14-10-6-5-9-13(14)17-18-19/h4-11,16H,3H2,1-2H3.
What are the key properties of 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole?
1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole has a molecular weight of 283.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole is sourced from PubChem (CID 3641225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).