2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate

C15H11O6- — CID 4746417

IUPAC2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
SMILESO=C(COc1ccccc1C(=O)[O-])c1ccc(O)cc1O
InChIInChI=1S/C15H12O6/c16-9-5-6-10(12(17)7-9)13(18)8-21-14-4-2-1-3-11(14)15(19)20/h1-7,16-17H,8H2,(H,19,20)/p-1
InChIKeyLUEPOVJGDQMOLY-UHFFFAOYSA-M
MW287.25 g/mol
LogP0.72
Rot. Bonds5

About 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate

2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate (PubChem CID 4746417) has the molecular formula C15H11O6- and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
PubChem CID4746417
Molecular FormulaC15H11O6-
Molecular Weight287.25 g/mol
Exact Mass287.06
IUPAC Name2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
SMILESO=C(COc1ccccc1C(=O)[O-])c1ccc(O)cc1O
InChIInChI=1S/C15H12O6/c16-9-5-6-10(12(17)7-9)13(18)8-21-14-4-2-1-3-11(14)15(19)20/h1-7,16-17H,8H2,(H,19,20)/p-1
InChIKeyLUEPOVJGDQMOLY-UHFFFAOYSA-M
XLogP0.72
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone
CID 143884942
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
CID 52916523
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024
2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
CID 118401850
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
sodium 2-(2,2,2-trifluoroethoxy)benzoate
CID 23667245
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
ethane;methyl 3-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606949

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate?
The IUPAC name of 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate (CID 4746417) is 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate.
What is the SMILES notation for 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate?
The canonical SMILES for 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate is O=C(COc1ccccc1C(=O)[O-])c1ccc(O)cc1O.
What is the InChIKey of 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate?
The InChIKey is LUEPOVJGDQMOLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12O6/c16-9-5-6-10(12(17)7-9)13(18)8-21-14-4-2-1-3-11(14)15(19)20/h1-7,16-17H,8H2,(H,19,20)/p-1.
What are the key properties of 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate?
2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate has a molecular weight of 287.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate is sourced from PubChem (CID 4746417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).