2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

C16H16O6 — CID 71370456

IUPAC2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)c2c(O)cc(O)cc2O)c1
InChIInChI=1S/C16H16O6/c1-21-11-3-4-15(22-2)9(5-11)6-12(18)16-13(19)7-10(17)8-14(16)20/h3-5,7-8,17,19-20H,6H2,1-2H3
InChIKeyQCBAUJPHTDEXIB-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone (PubChem CID 71370456) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
PubChem CID71370456
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)c2c(O)cc(O)cc2O)c1
InChIInChI=1S/C16H16O6/c1-21-11-3-4-15(22-2)9(5-11)6-12(18)16-13(19)7-10(17)8-14(16)20/h3-5,7-8,17,19-20H,6H2,1-2H3
InChIKeyQCBAUJPHTDEXIB-UHFFFAOYSA-N
XLogP2.25
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CID 905962
1-(2,5-dimethoxyphenyl)-3-sulfanylpropan-2-one
CID 58139295
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
(2,5-dimethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10933987
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
[2-(2,5-dimethoxyphenyl)acetyl] butanoate
CID 91288887
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone (CID 71370456) is 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone is COc1ccc(OC)c(CC(=O)c2c(O)cc(O)cc2O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The InChIKey is QCBAUJPHTDEXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-21-11-3-4-15(22-2)9(5-11)6-12(18)16-13(19)7-10(17)8-14(16)20/h3-5,7-8,17,19-20H,6H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone has a molecular weight of 304.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone is sourced from PubChem (CID 71370456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).