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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Related Compounds

2,5-dihydroxy-3-(4-hydroxyphenyl)-6-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione
CID 139590812
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 14057718
3-hydroxy-4-[(3-hydroxy-5-oxo-2H-furan-4-yl)-(4-methoxyphenyl)methyl]-2H-furan-5-one
CID 177483875
4-hydroxy-3-methoxy-2H-furan-5-one
CID 86175362
6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one
CID 141411812
4-hydroxy-3-(4-hydroxyphenyl)-2H-furan-5-one
CID 44562547
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-2,2-dimethylfuran-3-one
CID 59354748
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
CID 56649060
(2E)-2-[3-hydroxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-N-methoxy-N-methylpropanamide
CID 54737471
2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496

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).