[(E)-3-methoxyprop-1-enyl]benzene

C10H12O — CID 5462920

IUPAC[(E)-3-methoxyprop-1-enyl]benzene
SMILESCOC/C=C/c1ccccc1
InChIInChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyXOURNDFHPYLQDJ-VMPITWQZSA-N
MW148.20 g/mol
LogP2.35
Rot. Bonds3

About [(E)-3-methoxyprop-1-enyl]benzene

[(E)-3-methoxyprop-1-enyl]benzene (PubChem CID 5462920) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is [(E)-3-methoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-methoxyprop-1-enyl]benzene
PubChem CID5462920
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name[(E)-3-methoxyprop-1-enyl]benzene
SMILESCOC/C=C/c1ccccc1
InChIInChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+
InChIKeyXOURNDFHPYLQDJ-VMPITWQZSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-methoxyprop-1-enyl]benzene?
The IUPAC name of [(E)-3-methoxyprop-1-enyl]benzene (CID 5462920) is [(E)-3-methoxyprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-methoxyprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-methoxyprop-1-enyl]benzene is COC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-methoxyprop-1-enyl]benzene?
The InChIKey is XOURNDFHPYLQDJ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+.
What are the key properties of [(E)-3-methoxyprop-1-enyl]benzene?
[(E)-3-methoxyprop-1-enyl]benzene has a molecular weight of 148.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methoxyprop-1-enyl]benzene is sourced from PubChem (CID 5462920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).