1-(3-methoxyprop-2-enyl)-4-propylbenzene

C13H18O — CID 67159296

IUPAC1-(3-methoxyprop-2-enyl)-4-propylbenzene
SMILESCCCc1ccc(CC=COC)cc1
InChIInChI=1S/C13H18O/c1-3-5-12-7-9-13(10-8-12)6-4-11-14-2/h4,7-11H,3,5-6H2,1-2H3
InChIKeyGIJIPEWERYDMSF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.34
Rot. Bonds5

About 1-(3-methoxyprop-2-enyl)-4-propylbenzene

1-(3-methoxyprop-2-enyl)-4-propylbenzene (PubChem CID 67159296) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-methoxyprop-2-enyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(3-methoxyprop-2-enyl)-4-propylbenzene
PubChem CID67159296
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(3-methoxyprop-2-enyl)-4-propylbenzene
SMILESCCCc1ccc(CC=COC)cc1
InChIInChI=1S/C13H18O/c1-3-5-12-7-9-13(10-8-12)6-4-11-14-2/h4,7-11H,3,5-6H2,1-2H3
InChIKeyGIJIPEWERYDMSF-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.34
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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Related Compounds

1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-(3,3-dimethoxypropyl)-4-propylbenzene;hydron;1-[(E)-3-methoxyprop-2-enyl]-4-propylbenzene;3-(4-propylphenyl)propanal;tritiomethyl hypofluorite
CID 158551664
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-prop-1-enoxy-4-propylbenzene
CID 172744984
1-pent-3-enyl-4-propylbenzene
CID 72599491
(4-propylphenyl) hypochlorite
CID 175330115
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
N-methoxy-4-propylaniline
CID 143258857

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyprop-2-enyl)-4-propylbenzene?
The IUPAC name of 1-(3-methoxyprop-2-enyl)-4-propylbenzene (CID 67159296) is 1-(3-methoxyprop-2-enyl)-4-propylbenzene.
What is the SMILES notation for 1-(3-methoxyprop-2-enyl)-4-propylbenzene?
The canonical SMILES for 1-(3-methoxyprop-2-enyl)-4-propylbenzene is CCCc1ccc(CC=COC)cc1.
What is the InChIKey of 1-(3-methoxyprop-2-enyl)-4-propylbenzene?
The InChIKey is GIJIPEWERYDMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-5-12-7-9-13(10-8-12)6-4-11-14-2/h4,7-11H,3,5-6H2,1-2H3.
What are the key properties of 1-(3-methoxyprop-2-enyl)-4-propylbenzene?
1-(3-methoxyprop-2-enyl)-4-propylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyprop-2-enyl)-4-propylbenzene is sourced from PubChem (CID 67159296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).