5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one

C12H12O4 — CID 59053257

IUPAC5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one
SMILESC=C1OC(=O)c2c(OC)cc(OC)c(C)c21
InChIInChI=1S/C12H12O4/c1-6-8(14-3)5-9(15-4)11-10(6)7(2)16-12(11)13/h5H,2H2,1,3-4H3
InChIKeyNXGVLVFLPDSCCW-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.15
Rot. Bonds2

About 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one

5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one (PubChem CID 59053257) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one.

Molecular Properties

Compound Name5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one
PubChem CID59053257
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one
SMILESC=C1OC(=O)c2c(OC)cc(OC)c(C)c21
InChIInChI=1S/C12H12O4/c1-6-8(14-3)5-9(15-4)11-10(6)7(2)16-12(11)13/h5H,2H2,1,3-4H3
InChIKeyNXGVLVFLPDSCCW-UHFFFAOYSA-N
XLogP2.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one?
The IUPAC name of 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one (CID 59053257) is 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one.
What is the SMILES notation for 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one?
The canonical SMILES for 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one is C=C1OC(=O)c2c(OC)cc(OC)c(C)c21.
What is the InChIKey of 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one?
The InChIKey is NXGVLVFLPDSCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6-8(14-3)5-9(15-4)11-10(6)7(2)16-12(11)13/h5H,2H2,1,3-4H3.
What are the key properties of 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one?
5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one has a molecular weight of 220.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-methyl-3-methylidene-2-benzofuran-1-one is sourced from PubChem (CID 59053257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).