(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate

C14H18O5 — CID 54462565

IUPAC(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate
SMILESCC(C)OC(=O)COC(=O)C(C)(O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-10(2)19-12(15)9-18-13(16)14(3,17)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKeyXCPWTARSFXYFMY-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.39
Rot. Bonds5

About (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate

(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate (PubChem CID 54462565) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate
PubChem CID54462565
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate
SMILESCC(C)OC(=O)COC(=O)C(C)(O)c1ccccc1
InChIInChI=1S/C14H18O5/c1-10(2)19-12(15)9-18-13(16)14(3,17)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3
InChIKeyXCPWTARSFXYFMY-UHFFFAOYSA-N
XLogP1.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-1-ium-1-ylmethyl (2R)-2-hydroxy-2-phenylpropanoate
CID 140699123
propan-2-yl 2-phenoxyacetate
CID 11367560
(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
CID 177256002
propan-2-yl 2,2-dimethyl-3-trityloxypropanoate
CID 135147480
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
propan-2-yl (2S)-2-hydroxy-3-nitro-2-phenylpropanoate
CID 125473919
dipropan-2-yl 2-ethyl-2-phenylpropanedioate
CID 118088427
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
CID 174931571
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate (CID 54462565) is (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate is CC(C)OC(=O)COC(=O)C(C)(O)c1ccccc1.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate?
The InChIKey is XCPWTARSFXYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-10(2)19-12(15)9-18-13(16)14(3,17)11-7-5-4-6-8-11/h4-8,10,17H,9H2,1-3H3.
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate?
(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate has a molecular weight of 266.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 54462565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).