1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole

C16H17N3O3 — CID 3839350

IUPAC1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole
SMILESCOc1cc(OC)c(Cn2nnc3ccccc32)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-20-11-8-15(21-2)12(16(9-11)22-3)10-19-14-7-5-4-6-13(14)17-18-19/h4-9H,10H2,1-3H3
InChIKeyBHZKQRDDDCLOQF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole

1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole (PubChem CID 3839350) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole
PubChem CID3839350
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole
SMILESCOc1cc(OC)c(Cn2nnc3ccccc32)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-20-11-8-15(21-2)12(16(9-11)22-3)10-19-14-7-5-4-6-13(14)17-18-19/h4-9H,10H2,1-3H3
InChIKeyBHZKQRDDDCLOQF-UHFFFAOYSA-N
XLogP2.51
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chloro-3-methoxyphenyl)methyl]benzotriazole
CID 90392764
4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
CID 6498136
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
(2R)-1-(benzotriazol-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 769663
(2S)-1-(benzotriazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 879163
2-(benzotriazol-1-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 5184443
(E)-N-(benzotriazol-1-ylmethyl)-1-(3,4-dimethoxyphenyl)methanimine
CID 51064344
1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
6-(benzotriazol-1-ylmethyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 46980134
(E)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]-1-phenylprop-2-en-1-one
CID 6184004
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
1-(phenoxymethyl)benzotriazole
CID 640750

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole?
The IUPAC name of 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole (CID 3839350) is 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole is COc1cc(OC)c(Cn2nnc3ccccc32)c(OC)c1.
What is the InChIKey of 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole?
The InChIKey is BHZKQRDDDCLOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-20-11-8-15(21-2)12(16(9-11)22-3)10-19-14-7-5-4-6-13(14)17-18-19/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole?
1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole has a molecular weight of 299.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethoxyphenyl)methyl]benzotriazole is sourced from PubChem (CID 3839350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).