5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole

C18H18O4 — CID 139494892

IUPAC5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1cc2c(cc1OCc1ccccc1OC)OCO2
InChIInChI=1S/C18H18O4/c1-3-6-13-9-17-18(22-12-21-17)10-16(13)20-11-14-7-4-5-8-15(14)19-2/h3-5,7-10H,1,6,11-12H2,2H3
InChIKeySVQWYKXJIFIKKN-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.73
Rot. Bonds6

About 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole

5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole (PubChem CID 139494892) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole
PubChem CID139494892
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1cc2c(cc1OCc1ccccc1OC)OCO2
InChIInChI=1S/C18H18O4/c1-3-6-13-9-17-18(22-12-21-17)10-16(13)20-11-14-7-4-5-8-15(14)19-2/h3-5,7-10H,1,6,11-12H2,2H3
InChIKeySVQWYKXJIFIKKN-UHFFFAOYSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole?
The IUPAC name of 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole (CID 139494892) is 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole.
What is the SMILES notation for 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole?
The canonical SMILES for 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole is C=CCc1cc2c(cc1OCc1ccccc1OC)OCO2.
What is the InChIKey of 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole?
The InChIKey is SVQWYKXJIFIKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-6-13-9-17-18(22-12-21-17)10-16(13)20-11-14-7-4-5-8-15(14)19-2/h3-5,7-10H,1,6,11-12H2,2H3.
What are the key properties of 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole?
5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole has a molecular weight of 298.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methoxy]-6-prop-2-enyl-1,3-benzodioxole is sourced from PubChem (CID 139494892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).