5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane

C13H16O4 — CID 153333565

IUPAC5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane
SMILESC=c1cc2c(o1)=C(OC)C=C(OC)C2=O.CC
InChIInChI=1S/C11H10O4.C2H6/c1-6-4-7-10(12)8(13-2)5-9(14-3)11(7)15-6;1-2/h4-5H,1H2,2-3H3;1-2H3
InChIKeyARUUIZKDDOJKEM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.20
Rot. Bonds2

About 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane

5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane (PubChem CID 153333565) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane.

Molecular Properties

Compound Name5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane
PubChem CID153333565
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane
SMILESC=c1cc2c(o1)=C(OC)C=C(OC)C2=O.CC
InChIInChI=1S/C11H10O4.C2H6/c1-6-4-7-10(12)8(13-2)5-9(14-3)11(7)15-6;1-2/h4-5H,1H2,2-3H3;1-2H3
InChIKeyARUUIZKDDOJKEM-UHFFFAOYSA-N
XLogP1.20
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-5-methyl-6-methoxymethyl-p-benzoquinone
CID 60203128
2-Methoxy-6-(methoxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 190768
5-(Ethoxymethyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 14689919
(3E)-1-ethoxy-5-fluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-one
CID 142549707
Methyl 5-methoxy-3,4-dioxocyclohexa-1,5-diene-1-carboxylate
CID 11116956
3,5-Dimethoxycyclohexa-3,5-diene-1,2-dione
CID 12294695
2-Methoxy-5-(methoxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 71339485
2,4-Dimethoxy-6-methylidene-3-propan-2-ylcyclohexa-2,4-dien-1-one
CID 101338429
2,3-Dimethoxy-5-(3-methoxyprop-2-ynoxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 134919109
3,5-dimethoxy-2-[(5-oxo-3-prop-1-en-2-yl-2H-furan-4-yl)methoxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 138984577
2-(Butoxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 11075042
2-(Hexoxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 11118544

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane?
The IUPAC name of 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane (CID 153333565) is 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane.
What is the SMILES notation for 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane?
The canonical SMILES for 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane is C=c1cc2c(o1)=C(OC)C=C(OC)C2=O.CC.
What is the InChIKey of 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane?
The InChIKey is ARUUIZKDDOJKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4.C2H6/c1-6-4-7-10(12)8(13-2)5-9(14-3)11(7)15-6;1-2/h4-5H,1H2,2-3H3;1-2H3.
What are the key properties of 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane?
5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane has a molecular weight of 236.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-methylidene-1-benzofuran-4-one;ethane is sourced from PubChem (CID 153333565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).