4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one

C13H12O6 — CID 54704726

IUPAC4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one
SMILESCOc1cc(-c2cc(O)cc(=O)o2)cc(OC)c1O
InChIInChI=1S/C13H12O6/c1-17-10-3-7(4-11(18-2)13(10)16)9-5-8(14)6-12(15)19-9/h3-6,14,16H,1-2H3
InChIKeyOAMHQEBGWAPGBN-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.74
Rot. Bonds3

About 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one

4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one (PubChem CID 54704726) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one
PubChem CID54704726
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one
SMILESCOc1cc(-c2cc(O)cc(=O)o2)cc(OC)c1O
InChIInChI=1S/C13H12O6/c1-17-10-3-7(4-11(18-2)13(10)16)9-5-8(14)6-12(15)19-9/h3-6,14,16H,1-2H3
InChIKeyOAMHQEBGWAPGBN-UHFFFAOYSA-N
XLogP1.74
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromen-4-one
CID 69325736
4-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-2-one
CID 45276755
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethylfuran-2-yl]-2,6-dimethoxyphenol
CID 19049296
4-hydroxy-6-(3-methylphenyl)pyran-2-one
CID 54690178
3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride
CID 131675941
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one;5,7-dihydroxy-2-(3-hydroxy-4-methylphenyl)chromen-4-one;5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;methane
CID 162082533
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 166738228
[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl] dipropan-2-yl phosphate
CID 134133497
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
CID 54133201
4-hydroxy-6-pyridin-3-ylpyran-2-one
CID 54684893

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one (CID 54704726) is 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one is COc1cc(-c2cc(O)cc(=O)o2)cc(OC)c1O.
What is the InChIKey of 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one?
The InChIKey is OAMHQEBGWAPGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6/c1-17-10-3-7(4-11(18-2)13(10)16)9-5-8(14)6-12(15)19-9/h3-6,14,16H,1-2H3.
What are the key properties of 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one?
4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one has a molecular weight of 264.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(4-hydroxy-3,5-dimethoxyphenyl)pyran-2-one is sourced from PubChem (CID 54704726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).