3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione

C12H10O5 — CID 583985

IUPAC3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)OCC2=O)cc1
InChIInChI=1S/C12H10O5/c1-16-8-4-2-7(3-5-8)10-9(13)6-17-12(15)11(10)14/h2-5,14H,6H2,1H3
InChIKeyIYJKYBJIEWHVJL-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.09
Rot. Bonds2

About 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione

3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione (PubChem CID 583985) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
PubChem CID583985
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)OCC2=O)cc1
InChIInChI=1S/C12H10O5/c1-16-8-4-2-7(3-5-8)10-9(13)6-17-12(15)11(10)14/h2-5,14H,6H2,1H3
InChIKeyIYJKYBJIEWHVJL-UHFFFAOYSA-N
XLogP1.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione?
The IUPAC name of 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione (CID 583985) is 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione is COc1ccc(C2=C(O)C(=O)OCC2=O)cc1.
What is the InChIKey of 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione?
The InChIKey is IYJKYBJIEWHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-16-8-4-2-7(3-5-8)10-9(13)6-17-12(15)11(10)14/h2-5,14H,6H2,1H3.
What are the key properties of 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione?
3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione has a molecular weight of 234.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione is sourced from PubChem (CID 583985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).