[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate

C20H20O7 — CID 163632936

IUPAC[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate
SMILESCOc1ccc(C(=O)C(OC(=O)COC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O7/c1-13(21)26-12-18(22)27-20(15-6-10-17(25-3)11-7-15)19(23)14-4-8-16(24-2)9-5-14/h4-11,20H,12H2,1-3H3
InChIKeyHXRIUHXVQUINQJ-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.73
Rot. Bonds8

About [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate

[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate (PubChem CID 163632936) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate.

Molecular Properties

Compound Name[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate
PubChem CID163632936
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate
SMILESCOc1ccc(C(=O)C(OC(=O)COC(C)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O7/c1-13(21)26-12-18(22)27-20(15-6-10-17(25-3)11-7-15)19(23)14-4-8-16(24-2)9-5-14/h4-11,20H,12H2,1-3H3
InChIKeyHXRIUHXVQUINQJ-UHFFFAOYSA-N
XLogP2.73
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 4-oxo-4-phenylbutanoate
CID 7079593
[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
CID 11323292
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(2-oxo-1,2-diphenylethyl) 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55327013
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 54567584
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
CID 11266944
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate?
The IUPAC name of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate (CID 163632936) is [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate.
What is the SMILES notation for [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate?
The canonical SMILES for [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate is COc1ccc(C(=O)C(OC(=O)COC(C)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate?
The InChIKey is HXRIUHXVQUINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-13(21)26-12-18(22)27-20(15-6-10-17(25-3)11-7-15)19(23)14-4-8-16(24-2)9-5-14/h4-11,20H,12H2,1-3H3.
What are the key properties of [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate?
[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate has a molecular weight of 372.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate is sourced from PubChem (CID 163632936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).