4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one

C13H10O4 — CID 54680478

IUPAC4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one
SMILESO=c1cc(O)cc(/C=C/c2ccc(O)cc2)o1
InChIInChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+
InChIKeyORVQWHLMVLOZPX-ZZXKWVIFSA-N
MW230.22 g/mol
LogP2.22
Rot. Bonds2

About 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one

4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one (PubChem CID 54680478) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one
PubChem CID54680478
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one
SMILESO=c1cc(O)cc(/C=C/c2ccc(O)cc2)o1
InChIInChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+
InChIKeyORVQWHLMVLOZPX-ZZXKWVIFSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one (CID 54680478) is 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one is O=c1cc(O)cc(/C=C/c2ccc(O)cc2)o1.
What is the InChIKey of 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one?
The InChIKey is ORVQWHLMVLOZPX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+.
What are the key properties of 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one?
4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one has a molecular weight of 230.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one is sourced from PubChem (CID 54680478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).