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

C18H19N3O5 — CID 59430376

IUPAC2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol
SMILESCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-13-6-5-10(7-12(13)22)16-17(20-21-19-16)11-8-14(24-2)18(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H,19,20,21)
InChIKeyXSXPMVJCVGFTBL-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.88
Rot. Bonds6

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

2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol (PubChem CID 59430376) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol
PubChem CID59430376
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol
SMILESCOc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-13-6-5-10(7-12(13)22)16-17(20-21-19-16)11-8-14(24-2)18(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H,19,20,21)
InChIKeyXSXPMVJCVGFTBL-UHFFFAOYSA-N
XLogP2.88
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
CID 73334659
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 59430402
5-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11209992
5-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 11710445
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430385
4-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2H-triazole
CID 91938086
4-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 118418033
2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 134155998
2-[3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 135995955
2-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
CID 135995958
2-(4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl)-5-methoxyphenol
CID 664505
4-(4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 888681

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol (CID 59430376) is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol is COc1ccc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol?
The InChIKey is XSXPMVJCVGFTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-23-13-6-5-10(7-12(13)22)16-17(20-21-19-16)11-8-14(24-2)18(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H,19,20,21).
What are the key properties of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol?
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol has a molecular weight of 357.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenol is sourced from PubChem (CID 59430376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).