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

C18H19N3O5 — CID 44585268

IUPAC2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-15-6-5-12(9-14(15)22)21-13(10-19-20-21)11-7-16(24-2)18(26-4)17(8-11)25-3/h5-10,22H,1-4H3
InChIKeyWAXVGEPRMGBBES-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.67
Rot. Bonds6

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

2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol (PubChem CID 44585268) 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)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol
PubChem CID44585268
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H19N3O5/c1-23-15-6-5-12(9-14(15)22)21-13(10-19-20-21)11-7-16(24-2)18(26-4)17(8-11)25-3/h5-10,22H,1-4H3
InChIKeyWAXVGEPRMGBBES-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol (CID 44585268) is 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol is COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol?
The InChIKey is WAXVGEPRMGBBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-23-15-6-5-12(9-14(15)22)21-13(10-19-20-21)11-7-16(24-2)18(26-4)17(8-11)25-3/h5-10,22H,1-4H3.
What are the key properties of 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol?
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)triazol-1-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-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 44585268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).