5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol

C18H20O4 — CID 11623586

IUPAC5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILESC=C(c1ccc(OC)c(O)c1)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C18H20O4/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11,19H,2,5H2,1,3-4H3
InChIKeyDGMJDCGCTRGAHL-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.87
Rot. Bonds6

About 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol

5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol (PubChem CID 11623586) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol
PubChem CID11623586
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol
SMILESC=C(c1ccc(OC)c(O)c1)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C18H20O4/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11,19H,2,5H2,1,3-4H3
InChIKeyDGMJDCGCTRGAHL-UHFFFAOYSA-N
XLogP3.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol (CID 11623586) is 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol is C=C(c1ccc(OC)c(O)c1)c1ccc(OC)c(OCC)c1.
What is the InChIKey of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
The InChIKey is DGMJDCGCTRGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11,19H,2,5H2,1,3-4H3.
What are the key properties of 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol?
5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol has a molecular weight of 300.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 11623586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).