2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene

C20H22O4 — CID 155531641

IUPAC2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
SMILESC=Cc1c(OC)cc(/C=C/c2ccc(OCOC)cc2)cc1OC
InChIInChI=1S/C20H22O4/c1-5-18-19(22-3)12-16(13-20(18)23-4)7-6-15-8-10-17(11-9-15)24-14-21-2/h5-13H,1,14H2,2-4H3/b7-6+
InChIKeyKKJQAQYJXOYKBG-VOTSOKGWSA-N
MW326.39 g/mol
LogP4.50
Rot. Bonds8

About 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene

2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene (PubChem CID 155531641) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
PubChem CID155531641
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
SMILESC=Cc1c(OC)cc(/C=C/c2ccc(OCOC)cc2)cc1OC
InChIInChI=1S/C20H22O4/c1-5-18-19(22-3)12-16(13-20(18)23-4)7-6-15-8-10-17(11-9-15)24-14-21-2/h5-13H,1,14H2,2-4H3/b7-6+
InChIKeyKKJQAQYJXOYKBG-VOTSOKGWSA-N
XLogP4.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene?
The IUPAC name of 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene (CID 155531641) is 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene.
What is the SMILES notation for 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene?
The canonical SMILES for 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene is C=Cc1c(OC)cc(/C=C/c2ccc(OCOC)cc2)cc1OC.
What is the InChIKey of 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene?
The InChIKey is KKJQAQYJXOYKBG-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H22O4/c1-5-18-19(22-3)12-16(13-20(18)23-4)7-6-15-8-10-17(11-9-15)24-14-21-2/h5-13H,1,14H2,2-4H3/b7-6+.
What are the key properties of 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene?
2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene has a molecular weight of 326.39 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-dimethoxy-5-[(E)-2-[4-(methoxymethoxy)phenyl]ethenyl]benzene is sourced from PubChem (CID 155531641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).