5-ethenyl-7-methoxy-3H-2-benzofuran-1-one

C11H10O3 — CID 66643933

IUPAC5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
SMILESC=Cc1cc2c(c(OC)c1)C(=O)OC2
InChIInChI=1S/C11H10O3/c1-3-7-4-8-6-14-11(12)10(8)9(5-7)13-2/h3-5H,1,6H2,2H3
InChIKeyDERMVGBOQYVYTB-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.01
Rot. Bonds2

About 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one

5-ethenyl-7-methoxy-3H-2-benzofuran-1-one (PubChem CID 66643933) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
PubChem CID66643933
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
SMILESC=Cc1cc2c(c(OC)c1)C(=O)OC2
InChIInChI=1S/C11H10O3/c1-3-7-4-8-6-14-11(12)10(8)9(5-7)13-2/h3-5H,1,6H2,2H3
InChIKeyDERMVGBOQYVYTB-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one?
The IUPAC name of 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one (CID 66643933) is 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one is C=Cc1cc2c(c(OC)c1)C(=O)OC2.
What is the InChIKey of 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one?
The InChIKey is DERMVGBOQYVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-3-7-4-8-6-14-11(12)10(8)9(5-7)13-2/h3-5H,1,6H2,2H3.
What are the key properties of 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one?
5-ethenyl-7-methoxy-3H-2-benzofuran-1-one has a molecular weight of 190.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7-methoxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 66643933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).