5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole

C19H16O3 — CID 6051545

IUPAC5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole
SMILESC/C=C/c1ccc2oc(-c3ccc4c(c3)OCO4)c(C)c2c1
InChIInChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3/b4-3+
InChIKeySFFQJYFGYNAPSW-ONEGZZNKSA-N
MW292.33 g/mol
LogP5.17
Rot. Bonds2

About 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole

5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole (PubChem CID 6051545) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole
PubChem CID6051545
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole
SMILESC/C=C/c1ccc2oc(-c3ccc4c(c3)OCO4)c(C)c2c1
InChIInChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3/b4-3+
InChIKeySFFQJYFGYNAPSW-ONEGZZNKSA-N
XLogP5.17
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole?
The IUPAC name of 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole (CID 6051545) is 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole.
What is the SMILES notation for 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole?
The canonical SMILES for 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole is C/C=C/c1ccc2oc(-c3ccc4c(c3)OCO4)c(C)c2c1.
What is the InChIKey of 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole?
The InChIKey is SFFQJYFGYNAPSW-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3/b4-3+.
What are the key properties of 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole?
5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole has a molecular weight of 292.33 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]-1,3-benzodioxole is sourced from PubChem (CID 6051545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).