[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate

C14H16O5 — CID 146010575

IUPAC[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)C(C)(C)OC(C)=O
InChIInChI=1S/C14H16O5/c1-9(15)18-12-8-6-5-7-11(12)13(17)14(3,4)19-10(2)16/h5-8H,1-4H3
InChIKeyHHTKADOFMRBZSG-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.14
Rot. Bonds4

About [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate

[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate (PubChem CID 146010575) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate
PubChem CID146010575
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)C(C)(C)OC(C)=O
InChIInChI=1S/C14H16O5/c1-9(15)18-12-8-6-5-7-11(12)13(17)14(3,4)19-10(2)16/h5-8H,1-4H3
InChIKeyHHTKADOFMRBZSG-UHFFFAOYSA-N
XLogP2.14
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-acetyloxy-2-methylpropanoyl)benzoate
CID 146010999
(2R)-3-(2-acetyloxyphenyl)-2-methyl-3-oxo-2-phenylpropanoic acid
CID 91500999
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
[2-(4-tert-butylbenzoyl)phenyl] acetate
CID 24722885
[1-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010050
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
[2-(2-bromo-3-oxo-2,3-diphenylpropanoyl)phenyl] acetate
CID 12582111
[2-(2-hydroxyacetyl)phenyl] acetate
CID 101117820
zinc;bis(2-acetyloxybenzoate);dihydrate
CID 139063518
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate?
The IUPAC name of [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate (CID 146010575) is [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate.
What is the SMILES notation for [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate?
The canonical SMILES for [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate is CC(=O)Oc1ccccc1C(=O)C(C)(C)OC(C)=O.
What is the InChIKey of [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate?
The InChIKey is HHTKADOFMRBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-9(15)18-12-8-6-5-7-11(12)13(17)14(3,4)19-10(2)16/h5-8H,1-4H3.
What are the key properties of [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate?
[2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate has a molecular weight of 264.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetyloxy-2-methylpropanoyl)phenyl] acetate is sourced from PubChem (CID 146010575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).