2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone

C15H14O6 — CID 24795402

IUPAC2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
SMILESCOc1c(O)cc(O)c(C(=O)Cc2ccc(O)cc2)c1O
InChIInChI=1S/C15H14O6/c1-21-15-12(19)7-11(18)13(14(15)20)10(17)6-8-2-4-9(16)5-3-8/h2-5,7,16,18-20H,6H2,1H3
InChIKeyXESLVBOBZOCEFQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone

2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone (PubChem CID 24795402) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
PubChem CID24795402
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
SMILESCOc1c(O)cc(O)c(C(=O)Cc2ccc(O)cc2)c1O
InChIInChI=1S/C15H14O6/c1-21-15-12(19)7-11(18)13(14(15)20)10(17)6-8-2-4-9(16)5-3-8/h2-5,7,16,18-20H,6H2,1H3
InChIKeyXESLVBOBZOCEFQ-UHFFFAOYSA-N
XLogP1.94
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 123553272
1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone
CID 141492902
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
CID 14826836
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 118898649
[4-[2-oxo-2-(2,4,6-trihydroxyphenyl)ethyl]phenyl]azanium chloride
CID 110176159
1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 170221756
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
5-fluorobenzene-1,3-diol;1-(2-fluoro-4,6-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone;2-(4-hydroxyphenyl)acetic acid
CID 159972575
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone (CID 24795402) is 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone is COc1c(O)cc(O)c(C(=O)Cc2ccc(O)cc2)c1O.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone?
The InChIKey is XESLVBOBZOCEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6/c1-21-15-12(19)7-11(18)13(14(15)20)10(17)6-8-2-4-9(16)5-3-8/h2-5,7,16,18-20H,6H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone?
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone has a molecular weight of 290.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 24795402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).