5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole

C17H16O3 — CID 141140455

IUPAC5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
SMILESC=CC(c1ccc(OC)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16O3/c1-3-15(12-4-7-14(18-2)8-5-12)13-6-9-16-17(10-13)20-11-19-16/h3-10,15H,1,11H2,2H3
InChIKeyRRBZXEWDPITHJO-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.74
Rot. Bonds4

About 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole

5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole (PubChem CID 141140455) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
PubChem CID141140455
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
SMILESC=CC(c1ccc(OC)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H16O3/c1-3-15(12-4-7-14(18-2)8-5-12)13-6-9-16-17(10-13)20-11-19-16/h3-10,15H,1,11H2,2H3
InChIKeyRRBZXEWDPITHJO-UHFFFAOYSA-N
XLogP3.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine
CID 141099911
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
N-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]ethanamine
CID 43489246
[(3S)-3-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propyl]azanium
CID 7082120
2-(1,3-benzodioxol-5-yl)-2-(4-methoxyanilino)ethanol
CID 61045491
(1S)-1-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
CID 11651236
7-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 61097278
5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
CID 6992694
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole?
The IUPAC name of 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole (CID 141140455) is 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole?
The canonical SMILES for 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole is C=CC(c1ccc(OC)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole?
The InChIKey is RRBZXEWDPITHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-15(12-4-7-14(18-2)8-5-12)13-6-9-16-17(10-13)20-11-19-16/h3-10,15H,1,11H2,2H3.
What are the key properties of 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole?
5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole has a molecular weight of 268.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole is sourced from PubChem (CID 141140455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).