2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol

C18H19N3O5 — CID 25067808

IUPAC2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-15-6-5-11(7-14(15)22)13-10-19-20-21(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10,22H,1-4H3
InChIKeyDCEBFZXQYUBEHY-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.67
Rot. Bonds6

About 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol

2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol (PubChem CID 25067808) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
PubChem CID25067808
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-15-6-5-11(7-14(15)22)13-10-19-20-21(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10,22H,1-4H3
InChIKeyDCEBFZXQYUBEHY-UHFFFAOYSA-N
XLogP2.67
TPSA87.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 44585270
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
2-Methoxy-5-[2-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]aniline
CID 11810398
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
(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-[4-(hydroxymethyl)triazol-1-yl]-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974486
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-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 162662989

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol (CID 25067808) is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol is COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol?
The InChIKey is DCEBFZXQYUBEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-23-15-6-5-11(7-14(15)22)13-10-19-20-21(13)12-8-16(24-2)18(26-4)17(9-12)25-3/h5-10,22H,1-4H3.
What are the key properties of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol?
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol has a molecular weight of 357.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenol is sourced from PubChem (CID 25067808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).