1-ethyl-4-[(E)-pent-2-enoxy]benzene

C13H18O — CID 152800544

IUPAC1-ethyl-4-[(E)-pent-2-enoxy]benzene
SMILESCC/C=C/COc1ccc(CC)cc1
InChIInChI=1S/C13H18O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h5-10H,3-4,11H2,1-2H3/b6-5+
InChIKeySNHFQNLXMGOUNO-AATRIKPKSA-N
MW190.29 g/mol
LogP3.59
Rot. Bonds5

About 1-ethyl-4-[(E)-pent-2-enoxy]benzene

1-ethyl-4-[(E)-pent-2-enoxy]benzene (PubChem CID 152800544) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-pent-2-enoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-pent-2-enoxy]benzene
PubChem CID152800544
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-ethyl-4-[(E)-pent-2-enoxy]benzene
SMILESCC/C=C/COc1ccc(CC)cc1
InChIInChI=1S/C13H18O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h5-10H,3-4,11H2,1-2H3/b6-5+
InChIKeySNHFQNLXMGOUNO-AATRIKPKSA-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-methoxy-4-[(E)-pent-2-enoxy]benzene
CID 176585225
2-ethyl-5-[4-[(E)-pent-2-enoxy]phenyl]-1,3,4-thiadiazole
CID 23432090
2-[6-(4-ethylphenoxy)hexa-2,4-dienoxy]ethanol
CID 141387799
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
1-oct-2-enoxy-4-[2-(4-propylphenyl)ethynyl]benzene
CID 70371988
ethane;(4-ethylphenoxy)methanamine
CID 145400359
2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432042
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
2-ethyl-4-(4-ethylphenoxy)but-2-enoic acid
CID 77100433
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-pent-2-enoxy]benzene?
The IUPAC name of 1-ethyl-4-[(E)-pent-2-enoxy]benzene (CID 152800544) is 1-ethyl-4-[(E)-pent-2-enoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-pent-2-enoxy]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-pent-2-enoxy]benzene is CC/C=C/COc1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-pent-2-enoxy]benzene?
The InChIKey is SNHFQNLXMGOUNO-AATRIKPKSA-N. The full InChI is InChI=1S/C13H18O/c1-3-5-6-11-14-13-9-7-12(4-2)8-10-13/h5-10H,3-4,11H2,1-2H3/b6-5+.
What are the key properties of 1-ethyl-4-[(E)-pent-2-enoxy]benzene?
1-ethyl-4-[(E)-pent-2-enoxy]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-ethyl-4-[(E)-pent-2-enoxy]benzene is sourced from PubChem (CID 152800544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).