2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

C15H14O5 — CID 905962

IUPAC2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H14O5/c1-20-14-5-3-2-4-9(14)6-11(17)15-12(18)7-10(16)8-13(15)19/h2-5,7-8,16,18-19H,6H2,1H3
InChIKeyJXHCBDZUPWMLDA-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.24
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone (PubChem CID 905962) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
PubChem CID905962
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H14O5/c1-20-14-5-3-2-4-9(14)6-11(17)15-12(18)7-10(16)8-13(15)19/h2-5,7-8,16,18-19H,6H2,1H3
InChIKeyJXHCBDZUPWMLDA-UHFFFAOYSA-N
XLogP2.24
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
2-(2-methoxyphenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349407
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152945
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone (CID 905962) is 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone is COc1ccccc1CC(=O)c1c(O)cc(O)cc1O.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
The InChIKey is JXHCBDZUPWMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-20-14-5-3-2-4-9(14)6-11(17)15-12(18)7-10(16)8-13(15)19/h2-5,7-8,16,18-19H,6H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone?
2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone has a molecular weight of 274.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone is sourced from PubChem (CID 905962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).