1-ethoxy-4-[(E)-pent-3-enyl]benzene

C13H18O — CID 22095339

IUPAC1-ethoxy-4-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(OCC)cc1
InChIInChI=1S/C13H18O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+
InChIKeyKLBJWFAUDRUCEY-HWKANZROSA-N
MW190.29 g/mol
LogP3.59
Rot. Bonds5

About 1-ethoxy-4-[(E)-pent-3-enyl]benzene

1-ethoxy-4-[(E)-pent-3-enyl]benzene (PubChem CID 22095339) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethoxy-4-[(E)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(E)-pent-3-enyl]benzene
PubChem CID22095339
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-ethoxy-4-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(OCC)cc1
InChIInChI=1S/C13H18O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+
InChIKeyKLBJWFAUDRUCEY-HWKANZROSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162
1-ethoxy-4-[2-(4-hept-3-enylphenyl)ethynyl]benzene
CID 139767234
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
CID 83932852
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-(4-but-3-enylphenyl)-4-[[4-[(E)-pent-3-enyl]phenyl]methoxy]benzene
CID 126610314
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861883

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(E)-pent-3-enyl]benzene?
The IUPAC name of 1-ethoxy-4-[(E)-pent-3-enyl]benzene (CID 22095339) is 1-ethoxy-4-[(E)-pent-3-enyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(E)-pent-3-enyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(E)-pent-3-enyl]benzene is C/C=C/CCc1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-[(E)-pent-3-enyl]benzene?
The InChIKey is KLBJWFAUDRUCEY-HWKANZROSA-N. The full InChI is InChI=1S/C13H18O/c1-3-5-6-7-12-8-10-13(11-9-12)14-4-2/h3,5,8-11H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 1-ethoxy-4-[(E)-pent-3-enyl]benzene?
1-ethoxy-4-[(E)-pent-3-enyl]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(E)-pent-3-enyl]benzene is sourced from PubChem (CID 22095339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).