5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol

C22H20N2O4 — CID 68626091

IUPAC5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)ncn2)cc1O
InChIInChI=1S/C22H20N2O4/c1-27-21-9-5-15(11-19(21)25)3-7-17-13-18(24-14-23-17)8-4-16-6-10-22(28-2)20(26)12-16/h3-14,25-26H,1-2H3/b7-3+,8-4+
InChIKeyCSUGSZLKKUHSNP-FCXRPNKRSA-N
MW376.41 g/mol
LogP4.25
Rot. Bonds6

About 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol

5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol (PubChem CID 68626091) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol
PubChem CID68626091
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)ncn2)cc1O
InChIInChI=1S/C22H20N2O4/c1-27-21-9-5-15(11-19(21)25)3-7-17-13-18(24-14-23-17)8-4-16-6-10-22(28-2)20(26)12-16/h3-14,25-26H,1-2H3/b7-3+,8-4+
InChIKeyCSUGSZLKKUHSNP-FCXRPNKRSA-N
XLogP4.25
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol (CID 68626091) is 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol is COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)ncn2)cc1O.
What is the InChIKey of 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol?
The InChIKey is CSUGSZLKKUHSNP-FCXRPNKRSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-21-9-5-15(11-19(21)25)3-7-17-13-18(24-14-23-17)8-4-16-6-10-22(28-2)20(26)12-16/h3-14,25-26H,1-2H3/b7-3+,8-4+.
What are the key properties of 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol?
5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol has a molecular weight of 376.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[6-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 68626091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).