1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene

C16H24O2 — CID 173339837

IUPAC1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene
SMILESC/C=C/Cc1ccc(OCCCCOCC)cc1
InChIInChI=1S/C16H24O2/c1-3-5-8-15-9-11-16(12-10-15)18-14-7-6-13-17-4-2/h3,5,9-12H,4,6-8,13-14H2,1-2H3/b5-3+
InChIKeyVRHYFZCLPFJJOM-HWKANZROSA-N
MW248.37 g/mol
LogP4.00
Rot. Bonds9

About 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene

1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene (PubChem CID 173339837) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene
PubChem CID173339837
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene
SMILESC/C=C/Cc1ccc(OCCCCOCC)cc1
InChIInChI=1S/C16H24O2/c1-3-5-8-15-9-11-16(12-10-15)18-14-7-6-13-17-4-2/h3,5,9-12H,4,6-8,13-14H2,1-2H3/b5-3+
InChIKeyVRHYFZCLPFJJOM-HWKANZROSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
4-(3-ethoxypropoxy)aniline
CID 43365878
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
4-(2-ethoxyethoxy)aniline
CID 16641299
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene?
The IUPAC name of 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene (CID 173339837) is 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene is C/C=C/Cc1ccc(OCCCCOCC)cc1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene?
The InChIKey is VRHYFZCLPFJJOM-HWKANZROSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-8-15-9-11-16(12-10-15)18-14-7-6-13-17-4-2/h3,5,9-12H,4,6-8,13-14H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene?
1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-(4-ethoxybutoxy)benzene is sourced from PubChem (CID 173339837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).