6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one

C12H10O4 — CID 102032958

IUPAC6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one
SMILESCc1cc(O)cc(O)c1-c1cccc(=O)o1
InChIInChI=1S/C12H10O4/c1-7-5-8(13)6-9(14)12(7)10-3-2-4-11(15)16-10/h2-6,13-14H,1H3
InChIKeyYKXBEKHKCNXYKR-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.03
Rot. Bonds1

About 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one

6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one (PubChem CID 102032958) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one.

Molecular Properties

Compound Name6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one
PubChem CID102032958
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one
SMILESCc1cc(O)cc(O)c1-c1cccc(=O)o1
InChIInChI=1S/C12H10O4/c1-7-5-8(13)6-9(14)12(7)10-3-2-4-11(15)16-10/h2-6,13-14H,1H3
InChIKeyYKXBEKHKCNXYKR-UHFFFAOYSA-N
XLogP2.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-6-(3-methylphenyl)pyran-2-one
CID 54690178
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3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
5-hydroxy-2,3-bis(4-hydroxy-5-methyl-2-oxochromen-3-yl)-7-methylnaphthalene-1,4-dione
CID 135454728
4-hydroxy-8-methylchromen-2-one
CID 54676122
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one
CID 102423081
5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one
CID 84652015
4,6-dihydroxy-2-benzofuran-1,3-dione
CID 102318969
5-hydroxychromen-2-one
CID 5318179
5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
CID 101299469

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one?
The IUPAC name of 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one (CID 102032958) is 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one.
What is the SMILES notation for 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one?
The canonical SMILES for 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one is Cc1cc(O)cc(O)c1-c1cccc(=O)o1.
What is the InChIKey of 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one?
The InChIKey is YKXBEKHKCNXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7-5-8(13)6-9(14)12(7)10-3-2-4-11(15)16-10/h2-6,13-14H,1H3.
What are the key properties of 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one?
6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one has a molecular weight of 218.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dihydroxy-6-methylphenyl)pyran-2-one is sourced from PubChem (CID 102032958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).