3-hydroxy-4-methoxy-5-methylidenefuran-2-one

C6H6O4 — CID 14314907

IUPAC3-hydroxy-4-methoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(O)=C1OC
InChIInChI=1S/C6H6O4/c1-3-5(9-2)4(7)6(8)10-3/h7H,1H2,2H3
InChIKeyYTQUSOLIMPYGHC-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.47
Rot. Bonds1

About 3-hydroxy-4-methoxy-5-methylidenefuran-2-one

3-hydroxy-4-methoxy-5-methylidenefuran-2-one (PubChem CID 14314907) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-5-methylidenefuran-2-one
PubChem CID14314907
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name3-hydroxy-4-methoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(O)=C1OC
InChIInChI=1S/C6H6O4/c1-3-5(9-2)4(7)6(8)10-3/h7H,1H2,2H3
InChIKeyYTQUSOLIMPYGHC-UHFFFAOYSA-N
XLogP0.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dihydroxyfuran-2(5H)-one
CID 54703626
diethyl (2Z,4Z)-2,5-dihydroxyhexa-2,4-dienedioate
CID 54681595
3-hydroxy-6-methyl-2(2H)-pyranone
CID 6428992
methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
CID 101032163
3,4,5-Trihydroxy-6-(hydroxymethyl)pyran-2-one
CID 54742065
ethyl (2Z)-2-fluoro-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 135014961
methyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54703202
ethyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54707019
Diethyl 2,5-dihydroxyhexa-2,4-dienedioate
CID 54729640
5-Methoxy-6-oxopyran-2-carboxylic acid
CID 129925302
ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54689438
Methyl 3-hydroxy-4-(4-hydroxy-5-oxofuran-2(5H)-ylidene)but-2-enoate
CID 90472175

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-5-methylidenefuran-2-one?
The IUPAC name of 3-hydroxy-4-methoxy-5-methylidenefuran-2-one (CID 14314907) is 3-hydroxy-4-methoxy-5-methylidenefuran-2-one.
What is the SMILES notation for 3-hydroxy-4-methoxy-5-methylidenefuran-2-one?
The canonical SMILES for 3-hydroxy-4-methoxy-5-methylidenefuran-2-one is C=C1OC(=O)C(O)=C1OC.
What is the InChIKey of 3-hydroxy-4-methoxy-5-methylidenefuran-2-one?
The InChIKey is YTQUSOLIMPYGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-3-5(9-2)4(7)6(8)10-3/h7H,1H2,2H3.
What are the key properties of 3-hydroxy-4-methoxy-5-methylidenefuran-2-one?
3-hydroxy-4-methoxy-5-methylidenefuran-2-one has a molecular weight of 142.11 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-5-methylidenefuran-2-one is sourced from PubChem (CID 14314907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).