3-methoxyprop-1-enylbenzene

C10H12O — CID 27791

IUPAC3-methoxyprop-1-enylbenzene
SMILESCOCC=Cc1ccccc1
InChIInChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3
InChIKeyXOURNDFHPYLQDJ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.35
Rot. Bonds3

About 3-methoxyprop-1-enylbenzene

3-methoxyprop-1-enylbenzene (PubChem CID 27791) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-methoxyprop-1-enylbenzene.

Molecular Properties

Compound Name3-methoxyprop-1-enylbenzene
PubChem CID27791
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3-methoxyprop-1-enylbenzene
SMILESCOCC=Cc1ccccc1
InChIInChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3
InChIKeyXOURNDFHPYLQDJ-UHFFFAOYSA-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 3-methoxyprop-1-enylbenzene?
The IUPAC name of 3-methoxyprop-1-enylbenzene (CID 27791) is 3-methoxyprop-1-enylbenzene.
What is the SMILES notation for 3-methoxyprop-1-enylbenzene?
The canonical SMILES for 3-methoxyprop-1-enylbenzene is COCC=Cc1ccccc1.
What is the InChIKey of 3-methoxyprop-1-enylbenzene?
The InChIKey is XOURNDFHPYLQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3.
What are the key properties of 3-methoxyprop-1-enylbenzene?
3-methoxyprop-1-enylbenzene 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 3-methoxyprop-1-enylbenzene is sourced from PubChem (CID 27791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).