[(E)-2-ethoxyethenyl]benzene

C10H12O — CID 5383414

IUPAC[(E)-2-ethoxyethenyl]benzene
SMILESCCO/C=C/c1ccccc1
InChIInChI=1S/C10H12O/c1-2-11-9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyFZHNODDFDJBMAS-CMDGGOBGSA-N
MW148.20 g/mol
LogP2.69
Rot. Bonds3

About [(E)-2-ethoxyethenyl]benzene

[(E)-2-ethoxyethenyl]benzene (PubChem CID 5383414) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is [(E)-2-ethoxyethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-ethoxyethenyl]benzene
PubChem CID5383414
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name[(E)-2-ethoxyethenyl]benzene
SMILESCCO/C=C/c1ccccc1
InChIInChI=1S/C10H12O/c1-2-11-9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyFZHNODDFDJBMAS-CMDGGOBGSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxyethenyl]benzene?
The IUPAC name of [(E)-2-ethoxyethenyl]benzene (CID 5383414) is [(E)-2-ethoxyethenyl]benzene.
What is the SMILES notation for [(E)-2-ethoxyethenyl]benzene?
The canonical SMILES for [(E)-2-ethoxyethenyl]benzene is CCO/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-ethoxyethenyl]benzene?
The InChIKey is FZHNODDFDJBMAS-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H12O/c1-2-11-9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+.
What are the key properties of [(E)-2-ethoxyethenyl]benzene?
[(E)-2-ethoxyethenyl]benzene has a molecular weight of 148.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxyethenyl]benzene is sourced from PubChem (CID 5383414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).