3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene

C22H26O2 — CID 173362831

IUPAC3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(-c2ccc(OCC)cc2)c(CC=C)c1OCC
InChIInChI=1S/C22H26O2/c1-5-9-18-13-16-20(21(10-6-2)22(18)24-8-4)17-11-14-19(15-12-17)23-7-3/h5-6,11-16H,1-2,7-10H2,3-4H3
InChIKeyWVJOQMNPKAXDDR-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.61
Rot. Bonds9

About 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene

3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene (PubChem CID 173362831) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene
PubChem CID173362831
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(-c2ccc(OCC)cc2)c(CC=C)c1OCC
InChIInChI=1S/C22H26O2/c1-5-9-18-13-16-20(21(10-6-2)22(18)24-8-4)17-11-14-19(15-12-17)23-7-3/h5-6,11-16H,1-2,7-10H2,3-4H3
InChIKeyWVJOQMNPKAXDDR-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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Related Compounds

3-ethoxy-1,2-bis(4-fluorophenyl)-4-prop-2-enylbenzene
CID 173362824
2-ethoxy-1,3,4-tris(4-ethoxyphenyl)benzene
CID 173362856
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
3-(4-ethoxyphenyl)-2,4-diphenyl-5-prop-2-enylfuran
CID 135022466
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
1-but-3-enoxy-4-[4-[2-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 89429977
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614
CID 89094377
CID 89094377
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene?
The IUPAC name of 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene (CID 173362831) is 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene.
What is the SMILES notation for 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene?
The canonical SMILES for 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene is C=CCc1ccc(-c2ccc(OCC)cc2)c(CC=C)c1OCC.
What is the InChIKey of 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene?
The InChIKey is WVJOQMNPKAXDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-5-9-18-13-16-20(21(10-6-2)22(18)24-8-4)17-11-14-19(15-12-17)23-7-3/h5-6,11-16H,1-2,7-10H2,3-4H3.
What are the key properties of 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene?
3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene 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 3-ethoxy-1-(4-ethoxyphenyl)-2,4-bis(prop-2-enyl)benzene is sourced from PubChem (CID 173362831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).