5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one

C12H10O5 — CID 10192727

IUPAC5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one
SMILESO=c1cc(COc2ccc(O)cc2)occ1O
InChIInChI=1S/C12H10O5/c13-8-1-3-9(4-2-8)16-6-10-5-11(14)12(15)7-17-10/h1-5,7,13,15H,6H2
InChIKeyYZMXGMSNBIULEA-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.63
Rot. Bonds3

About 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one

5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one (PubChem CID 10192727) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one
PubChem CID10192727
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one
SMILESO=c1cc(COc2ccc(O)cc2)occ1O
InChIInChI=1S/C12H10O5/c13-8-1-3-9(4-2-8)16-6-10-5-11(14)12(15)7-17-10/h1-5,7,13,15H,6H2
InChIKeyYZMXGMSNBIULEA-UHFFFAOYSA-N
XLogP1.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one (CID 10192727) is 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one is O=c1cc(COc2ccc(O)cc2)occ1O.
What is the InChIKey of 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one?
The InChIKey is YZMXGMSNBIULEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-8-1-3-9(4-2-8)16-6-10-5-11(14)12(15)7-17-10/h1-5,7,13,15H,6H2.
What are the key properties of 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one?
5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one has a molecular weight of 234.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-hydroxyphenoxy)methyl]pyran-4-one is sourced from PubChem (CID 10192727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).