5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one

C12H8O6 — CID 11543312

IUPAC5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one
SMILESO=c1cc(/C=C/c2cc(=O)c(O)co2)occ1O
InChIInChI=1S/C12H8O6/c13-9-3-7(17-5-11(9)15)1-2-8-4-10(14)12(16)6-18-8/h1-6,15-16H/b2-1+
InChIKeyJPZPSTQFAWTJMZ-OWOJBTEDSA-N
MW248.19 g/mol
LogP1.17
Rot. Bonds2

About 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one

5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one (PubChem CID 11543312) has the molecular formula C12H8O6 and a molecular weight of 248.19 g/mol. Its IUPAC name is 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one
PubChem CID11543312
Molecular FormulaC12H8O6
Molecular Weight248.19 g/mol
Exact Mass248.03
IUPAC Name5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one
SMILESO=c1cc(/C=C/c2cc(=O)c(O)co2)occ1O
InChIInChI=1S/C12H8O6/c13-9-3-7(17-5-11(9)15)1-2-8-4-10(14)12(16)6-18-8/h1-6,15-16H/b2-1+
InChIKeyJPZPSTQFAWTJMZ-OWOJBTEDSA-N
XLogP1.17
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one (CID 11543312) is 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one is O=c1cc(/C=C/c2cc(=O)c(O)co2)occ1O.
What is the InChIKey of 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one?
The InChIKey is JPZPSTQFAWTJMZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H8O6/c13-9-3-7(17-5-11(9)15)1-2-8-4-10(14)12(16)6-18-8/h1-6,15-16H/b2-1+.
What are the key properties of 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one?
5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one has a molecular weight of 248.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]pyran-4-one is sourced from PubChem (CID 11543312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).