6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine

C19H20O4 — CID 141099911

IUPAC6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine
SMILESC=CC(c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20O4/c1-4-17(14-9-15(20-2)12-16(10-14)21-3)13-5-6-18-19(11-13)23-8-7-22-18/h4-6,9-12,17H,1,7-8H2,2-3H3
InChIKeyLOEJEPFIBLPLES-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.79
Rot. Bonds5

About 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine

6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 141099911) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID141099911
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine
SMILESC=CC(c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20O4/c1-4-17(14-9-15(20-2)12-16(10-14)21-3)13-5-6-18-19(11-13)23-8-7-22-18/h4-6,9-12,17H,1,7-8H2,2-3H3
InChIKeyLOEJEPFIBLPLES-UHFFFAOYSA-N
XLogP3.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
CID 141140455
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol
CID 61087862
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
7-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 61097278
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine
CID 70327993
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
6-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 61096093
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine (CID 141099911) is 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine is C=CC(c1cc(OC)cc(OC)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is LOEJEPFIBLPLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-17(14-9-15(20-2)12-16(10-14)21-3)13-5-6-18-19(11-13)23-8-7-22-18/h4-6,9-12,17H,1,7-8H2,2-3H3.
What are the key properties of 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine?
6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 312.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,5-dimethoxyphenyl)prop-2-enyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 141099911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).