6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

C16H14O4 — CID 10265126

IUPAC6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESC=C(C)C1CC2=C(O1)c1cccc(OC)c1C(=O)C2=O
InChIInChI=1S/C16H14O4/c1-8(2)12-7-10-14(17)15(18)13-9(16(10)20-12)5-4-6-11(13)19-3/h4-6,12H,1,7H2,2-3H3
InChIKeyICDFLJCHILFMDR-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.54
Rot. Bonds2

About 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (PubChem CID 10265126) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
PubChem CID10265126
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESC=C(C)C1CC2=C(O1)c1cccc(OC)c1C(=O)C2=O
InChIInChI=1S/C16H14O4/c1-8(2)12-7-10-14(17)15(18)13-9(16(10)20-12)5-4-6-11(13)19-3/h4-6,12H,1,7H2,2-3H3
InChIKeyICDFLJCHILFMDR-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (CID 10265126) is 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is C=C(C)C1CC2=C(O1)c1cccc(OC)c1C(=O)C2=O.
What is the InChIKey of 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The InChIKey is ICDFLJCHILFMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-8(2)12-7-10-14(17)15(18)13-9(16(10)20-12)5-4-6-11(13)19-3/h4-6,12H,1,7H2,2-3H3.
What are the key properties of 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione has a molecular weight of 270.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 10265126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).