[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate

C14H14O8 — CID 91701441

IUPAC[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)Oc1ccccc1OC(=O)COC(C)=O
InChIInChI=1S/C14H14O8/c1-9(15)19-7-13(17)21-11-5-3-4-6-12(11)22-14(18)8-20-10(2)16/h3-6H,7-8H2,1-2H3
InChIKeyYEUZPYSTUIPQHW-UHFFFAOYSA-N
MW310.26 g/mol
LogP0.62
Rot. Bonds6

About [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate

[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate (PubChem CID 91701441) has the molecular formula C14H14O8 and a molecular weight of 310.26 g/mol. Its IUPAC name is [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate.

Molecular Properties

Compound Name[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
PubChem CID91701441
Molecular FormulaC14H14O8
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Name[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)Oc1ccccc1OC(=O)COC(C)=O
InChIInChI=1S/C14H14O8/c1-9(15)19-7-13(17)21-11-5-3-4-6-12(11)22-14(18)8-20-10(2)16/h3-6H,7-8H2,1-2H3
InChIKeyYEUZPYSTUIPQHW-UHFFFAOYSA-N
XLogP0.62
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate
CID 91734446
(2-acetyloxyphenyl) 3,3-dimethylbutanoate
CID 90024307
(E)-4-[2-(2-hydroxyphenoxy)-2-oxoethoxy]-3-methyl-4-oxobut-2-enoic acid
CID 141075910
[2-(2-ethylbutanoyloxy)phenyl] 2-ethylbutanoate
CID 118108382
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate
CID 141429997
(2-acetyloxyphenyl)methyl acetate
CID 10889107
(2-acetyloxyphenyl) 2-propylhexanoate
CID 90025375
2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712098
(2-acetyloxyphenyl) 5-methylhexanoate
CID 90024493

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate?
The IUPAC name of [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate (CID 91701441) is [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate.
What is the SMILES notation for [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate?
The canonical SMILES for [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate is CC(=O)OCC(=O)Oc1ccccc1OC(=O)COC(C)=O.
What is the InChIKey of [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate?
The InChIKey is YEUZPYSTUIPQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O8/c1-9(15)19-7-13(17)21-11-5-3-4-6-12(11)22-14(18)8-20-10(2)16/h3-6H,7-8H2,1-2H3.
What are the key properties of [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate?
[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate has a molecular weight of 310.26 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate is sourced from PubChem (CID 91701441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).