1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene

C22H26O2 — CID 54592215

IUPAC1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCC)c(-c2ccc(OCC)c(CC=C)c2)c1
InChIInChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3
InChIKeyZBAYEOYBEJFJCK-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.61
Rot. Bonds9

About 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene

1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene (PubChem CID 54592215) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
PubChem CID54592215
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCC)c(-c2ccc(OCC)c(CC=C)c2)c1
InChIInChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3
InChIKeyZBAYEOYBEJFJCK-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The IUPAC name of 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene (CID 54592215) is 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene.
What is the SMILES notation for 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The canonical SMILES for 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene is C=CCc1ccc(OCC)c(-c2ccc(OCC)c(CC=C)c2)c1.
What is the InChIKey of 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
The InChIKey is ZBAYEOYBEJFJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-5-9-17-11-13-22(24-8-4)20(15-17)18-12-14-21(23-7-3)19(16-18)10-6-2/h5-6,11-16H,1-2,7-10H2,3-4H3.
What are the key properties of 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene?
1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene has a molecular weight of 322.45 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(4-ethoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene is sourced from PubChem (CID 54592215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).