2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol

C18H19N3O5 — CID 46949022

IUPAC2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-13-6-5-10(7-12(13)22)17-19-18(21-20-17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H,19,20,21)
InChIKeyDCDLRJRHYVBDRR-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.88
Rot. Bonds6

About 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol

2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 46949022) 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)-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
PubChem CID46949022
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-13-6-5-10(7-12(13)22)17-19-18(21-20-17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9,22H,1-4H3,(H,19,20,21)
InChIKeyDCDLRJRHYVBDRR-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol (CID 46949022) is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol is COc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is DCDLRJRHYVBDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-23-13-6-5-10(7-12(13)22)17-19-18(21-20-17)11-8-14(24-2)16(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-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol?
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-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-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 46949022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).