3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol

C18H19N3O6 — CID 135984439

IUPAC3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O
InChIInChI=1S/C18H19N3O6/c1-24-13-6-5-11(16(22)17(13)23)12-9-19-20-21(12)10-7-14(25-2)18(27-4)15(8-10)26-3/h5-9,22-23H,1-4H3
InChIKeyMOWNKUQUJBEKJB-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.38
Rot. Bonds6

About 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol

3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol (PubChem CID 135984439) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol
PubChem CID135984439
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O
InChIInChI=1S/C18H19N3O6/c1-24-13-6-5-11(16(22)17(13)23)12-9-19-20-21(12)10-7-14(25-2)18(27-4)15(8-10)26-3/h5-9,22-23H,1-4H3
InChIKeyMOWNKUQUJBEKJB-UHFFFAOYSA-N
XLogP2.38
TPSA108.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol 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

2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 25067808
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
2-(2-Methylphenoxy)-5-[(4-Phenyl-1h-1,2,3-Triazol-1-Yl)methyl]phenol
CID 91826693
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585261
2-Methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
CID 54768181
1-(3,4,5-Trimethoxyphenyl)-5-(3-amino-4-methoxyphenyl)-1,2,3-triazole
CID 25014635
2-Methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]aniline
CID 44585269
4-(1-(2,3-dimethoxybenzyl)-1H-1,2,3-triazol-4-yl)phenol
CID 50908752
1-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
CID 73334561
5-Methoxy-2-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
CID 136126530
4-[1-(3,4-Dihydroxyphenyl)triazol-4-yl]benzene-1,2-diol
CID 136265455
2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-phenol
CID 10959219

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol?
The IUPAC name of 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol (CID 135984439) is 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol?
The canonical SMILES for 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol is COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O.
What is the InChIKey of 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol?
The InChIKey is MOWNKUQUJBEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-24-13-6-5-11(16(22)17(13)23)12-9-19-20-21(12)10-7-14(25-2)18(27-4)15(8-10)26-3/h5-9,22-23H,1-4H3.
What are the key properties of 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol?
3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol has a molecular weight of 373.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]benzene-1,2-diol is sourced from PubChem (CID 135984439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).