5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole

C19H16O4 — CID 11243755

IUPAC5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole
SMILESC=CCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C19H16O4/c1-3-4-12-7-14-10-16(23-19(14)18(8-12)20-2)13-5-6-15-17(9-13)22-11-21-15/h3,5-10H,1,4,11H2,2H3
InChIKeyQHQQIGTXXBIMFB-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.57
Rot. Bonds4

About 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole

5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole (PubChem CID 11243755) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole
PubChem CID11243755
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole
SMILESC=CCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C19H16O4/c1-3-4-12-7-14-10-16(23-19(14)18(8-12)20-2)13-5-6-15-17(9-13)22-11-21-15/h3,5-10H,1,4,11H2,2H3
InChIKeyQHQQIGTXXBIMFB-UHFFFAOYSA-N
XLogP4.57
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.57
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

3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl formate
CID 44577177
methyl 2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-carboxylate
CID 91429082
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl 2-methylbutanoate
CID 14018768
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-6-[3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101010849
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
3-[2-(1,3-benzodioxol-5-yl)-6-bromo-7-methoxy-1-benzofuran-5-yl]propan-1-ol
CID 44577180
5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole
CID 175742785
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
2-(1,3-benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
CID 12778488
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 17414877
tert-butyl-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methoxy]-dimethylsilane
CID 6613423

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole?
The IUPAC name of 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole (CID 11243755) is 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole.
What is the SMILES notation for 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole?
The canonical SMILES for 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole is C=CCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole?
The InChIKey is QHQQIGTXXBIMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-3-4-12-7-14-10-16(23-19(14)18(8-12)20-2)13-5-6-15-17(9-13)22-11-21-15/h3,5-10H,1,4,11H2,2H3.
What are the key properties of 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole?
5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole has a molecular weight of 308.33 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-5-prop-2-enyl-1-benzofuran-2-yl)-1,3-benzodioxole is sourced from PubChem (CID 11243755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).