1-prop-2-enyl-3-propoxybenzene

C12H16O — CID 91655995

IUPAC1-prop-2-enyl-3-propoxybenzene
SMILESC=CCc1cccc(OCCC)c1
InChIInChI=1S/C12H16O/c1-3-6-11-7-5-8-12(10-11)13-9-4-2/h3,5,7-8,10H,1,4,6,9H2,2H3
InChIKeyPXDARPAZOCKELI-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.20
Rot. Bonds5

About 1-prop-2-enyl-3-propoxybenzene

1-prop-2-enyl-3-propoxybenzene (PubChem CID 91655995) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-prop-2-enyl-3-propoxybenzene.

Molecular Properties

Compound Name1-prop-2-enyl-3-propoxybenzene
PubChem CID91655995
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-prop-2-enyl-3-propoxybenzene
SMILESC=CCc1cccc(OCCC)c1
InChIInChI=1S/C12H16O/c1-3-6-11-7-5-8-12(10-11)13-9-4-2/h3,5,7-8,10H,1,4,6,9H2,2H3
InChIKeyPXDARPAZOCKELI-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.20
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-enoxy-3-prop-2-enylbenzene
CID 67362226
1-(2-methylpropoxy)-3-prop-2-enylbenzene
CID 91656681
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
2-methyl-1-prop-2-enyl-3-[(3-propoxyphenyl)methyl]guanidine
CID 110980915
(3-prop-2-enylphenyl) cyanate
CID 23312457
1-butyl-3-prop-2-enylbenzene
CID 140596641
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
2-oxo-3-(3-propoxyphenyl)propanoic acid
CID 62497459
4-butoxy-1-prop-2-enyl-2-propoxybenzene
CID 24770089
(3-propoxyphenyl)borane
CID 137330417
2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
CID 161427356

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-propoxybenzene?
The IUPAC name of 1-prop-2-enyl-3-propoxybenzene (CID 91655995) is 1-prop-2-enyl-3-propoxybenzene.
What is the SMILES notation for 1-prop-2-enyl-3-propoxybenzene?
The canonical SMILES for 1-prop-2-enyl-3-propoxybenzene is C=CCc1cccc(OCCC)c1.
What is the InChIKey of 1-prop-2-enyl-3-propoxybenzene?
The InChIKey is PXDARPAZOCKELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-6-11-7-5-8-12(10-11)13-9-4-2/h3,5,7-8,10H,1,4,6,9H2,2H3.
What are the key properties of 1-prop-2-enyl-3-propoxybenzene?
1-prop-2-enyl-3-propoxybenzene has a molecular weight of 176.26 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-propoxybenzene is sourced from PubChem (CID 91655995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).