[(E)-2-methoxyethenyl]benzene

C9H10O — CID 5368493

IUPAC[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccccc1
InChIInChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyCTHJQRHPNQEPAB-BQYQJAHWSA-N
MW134.18 g/mol
LogP2.30
Rot. Bonds2

About [(E)-2-methoxyethenyl]benzene

[(E)-2-methoxyethenyl]benzene (PubChem CID 5368493) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is [(E)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-methoxyethenyl]benzene
PubChem CID5368493
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccccc1
InChIInChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyCTHJQRHPNQEPAB-BQYQJAHWSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.30
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-methoxyethenyl]benzene?
The IUPAC name of [(E)-2-methoxyethenyl]benzene (CID 5368493) is [(E)-2-methoxyethenyl]benzene.
What is the SMILES notation for [(E)-2-methoxyethenyl]benzene?
The canonical SMILES for [(E)-2-methoxyethenyl]benzene is CO/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-methoxyethenyl]benzene?
The InChIKey is CTHJQRHPNQEPAB-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H10O/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+.
What are the key properties of [(E)-2-methoxyethenyl]benzene?
[(E)-2-methoxyethenyl]benzene has a molecular weight of 134.18 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methoxyethenyl]benzene is sourced from PubChem (CID 5368493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).