4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol

C18H20O5 — CID 72723773

IUPAC4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(/C=C/c2cc(OC)c(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C18H20O5/c1-20-14-8-7-13(15(11-14)21-2)6-5-12-9-16(22-3)18(19)17(10-12)23-4/h5-11,19H,1-4H3/b6-5+
InChIKeyZSCTYEIJCKDWEK-AATRIKPKSA-N
MW316.35 g/mol
LogP3.60
Rot. Bonds6

About 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol

4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol (PubChem CID 72723773) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
PubChem CID72723773
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(/C=C/c2cc(OC)c(O)c(OC)c2)c(OC)c1
InChIInChI=1S/C18H20O5/c1-20-14-8-7-13(15(11-14)21-2)6-5-12-9-16(22-3)18(19)17(10-12)23-4/h5-11,19H,1-4H3/b6-5+
InChIKeyZSCTYEIJCKDWEK-AATRIKPKSA-N
XLogP3.60
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenol
CID 56681826
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
(E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8832774
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
4-[2-(2,4-dimethoxyphenyl)ethenoxy]phenol
CID 131632823
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
2,4-dimethoxy-1-[(1E,3E)-penta-1,3-dienyl]benzene
CID 90326933
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol (CID 72723773) is 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol is COc1ccc(/C=C/c2cc(OC)c(O)c(OC)c2)c(OC)c1.
What is the InChIKey of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
The InChIKey is ZSCTYEIJCKDWEK-AATRIKPKSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-14-8-7-13(15(11-14)21-2)6-5-12-9-16(22-3)18(19)17(10-12)23-4/h5-11,19H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol?
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol has a molecular weight of 316.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 72723773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).