4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one

C13H12O4 — CID 139590414

IUPAC4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one
SMILESCc1cccc(O)c1-c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C13H12O4/c1-7-4-3-5-9(14)12(7)11-6-10(15)8(2)13(16)17-11/h3-6,14-15H,1-2H3
InChIKeyYJAGHZSLRWRZKO-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.33
Rot. Bonds1

About 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one

4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one (PubChem CID 139590414) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one
PubChem CID139590414
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one
SMILESCc1cccc(O)c1-c1cc(O)c(C)c(=O)o1
InChIInChI=1S/C13H12O4/c1-7-4-3-5-9(14)12(7)11-6-10(15)8(2)13(16)17-11/h3-6,14-15H,1-2H3
InChIKeyYJAGHZSLRWRZKO-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one (CID 139590414) is 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one is Cc1cccc(O)c1-c1cc(O)c(C)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one?
The InChIKey is YJAGHZSLRWRZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-7-4-3-5-9(14)12(7)11-6-10(15)8(2)13(16)17-11/h3-6,14-15H,1-2H3.
What are the key properties of 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one?
4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one has a molecular weight of 232.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-hydroxy-6-methylphenyl)-3-methylpyran-2-one is sourced from PubChem (CID 139590414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).