1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene

C24H32O — CID 22662535

IUPAC1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
SMILESCCCCCCCCc1ccc(/C=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H32O/c1-3-5-6-7-8-9-10-21-11-13-22(14-12-21)15-16-23-17-19-24(20-18-23)25-4-2/h11-20H,3-10H2,1-2H3/b16-15+
InChIKeyIMPNCRWBBQEHTR-FOCLMDBBSA-N
MW336.52 g/mol
LogP7.16
Rot. Bonds11

About 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene

1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene (PubChem CID 22662535) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
PubChem CID22662535
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
SMILESCCCCCCCCc1ccc(/C=C/c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H32O/c1-3-5-6-7-8-9-10-21-11-13-22(14-12-21)15-16-23-17-19-24(20-18-23)25-4-2/h11-20H,3-10H2,1-2H3/b16-15+
InChIKeyIMPNCRWBBQEHTR-FOCLMDBBSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-undecyl-4-[2-[4-[(E)-2-[4-[2-(4-undecylphenyl)ethynyl]phenyl]ethenyl]phenyl]ethynyl]benzene
CID 59413222
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821
1-hexoxy-4-pentylbenzene
CID 54277450
1-ethoxy-4-[(E)-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene
CID 19424967
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
CID 72543298
2-[(E)-2-(4-heptoxyphenyl)ethenyl]-5-heptylpyridine
CID 6184347
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene?
The IUPAC name of 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene (CID 22662535) is 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene is CCCCCCCCc1ccc(/C=C/c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene?
The InChIKey is IMPNCRWBBQEHTR-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H32O/c1-3-5-6-7-8-9-10-21-11-13-22(14-12-21)15-16-23-17-19-24(20-18-23)25-4-2/h11-20H,3-10H2,1-2H3/b16-15+.
What are the key properties of 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene?
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene has a molecular weight of 336.52 g/mol, XLogP of 7.16, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene is sourced from PubChem (CID 22662535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).