1-prop-2-enoxy-3-prop-2-enylbenzene

C12H14O — CID 67362226

IUPAC1-prop-2-enoxy-3-prop-2-enylbenzene
SMILESC=CCOc1cccc(CC=C)c1
InChIInChI=1S/C12H14O/c1-3-6-11-7-5-8-12(10-11)13-9-4-2/h3-5,7-8,10H,1-2,6,9H2
InChIKeyFLIXMWCOPLXRIO-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.98
Rot. Bonds5

About 1-prop-2-enoxy-3-prop-2-enylbenzene

1-prop-2-enoxy-3-prop-2-enylbenzene (PubChem CID 67362226) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-prop-2-enoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-prop-2-enoxy-3-prop-2-enylbenzene
PubChem CID67362226
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-prop-2-enoxy-3-prop-2-enylbenzene
SMILESC=CCOc1cccc(CC=C)c1
InChIInChI=1S/C12H14O/c1-3-6-11-7-5-8-12(10-11)13-9-4-2/h3-5,7-8,10H,1-2,6,9H2
InChIKeyFLIXMWCOPLXRIO-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.98
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-prop-2-enyl-3-propoxybenzene
CID 91655995
1-(2-methylpropoxy)-3-prop-2-enylbenzene
CID 91656681
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
CID 54849975
(3-prop-2-enylphenyl) cyanate
CID 23312457
(3-prop-2-enoxyphenyl)azanium
CID 59822882
cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium
CID 7937281
4-hydroxybutyl-[(3-prop-2-enoxyphenyl)methyl]azanium
CID 7937283
1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene
CID 153464042
2-(2-hydroxyethoxy)ethyl-[(3-prop-2-enoxyphenyl)methyl]azanium
CID 7937291
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163327937

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-3-prop-2-enylbenzene?
The IUPAC name of 1-prop-2-enoxy-3-prop-2-enylbenzene (CID 67362226) is 1-prop-2-enoxy-3-prop-2-enylbenzene.
What is the SMILES notation for 1-prop-2-enoxy-3-prop-2-enylbenzene?
The canonical SMILES for 1-prop-2-enoxy-3-prop-2-enylbenzene is C=CCOc1cccc(CC=C)c1.
What is the InChIKey of 1-prop-2-enoxy-3-prop-2-enylbenzene?
The InChIKey is FLIXMWCOPLXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-6-11-7-5-8-12(10-11)13-9-4-2/h3-5,7-8,10H,1-2,6,9H2.
What are the key properties of 1-prop-2-enoxy-3-prop-2-enylbenzene?
1-prop-2-enoxy-3-prop-2-enylbenzene has a molecular weight of 174.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 67362226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).