(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate

C12H14O5 — CID 20645227

IUPAC(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C12H14O5/c1-15-8-11(13)17-9-12(14)16-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyXMVNSJMTHFQYLG-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds6

About (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate

(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate (PubChem CID 20645227) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate.

Molecular Properties

Compound Name(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
PubChem CID20645227
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C12H14O5/c1-15-8-11(13)17-9-12(14)16-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyXMVNSJMTHFQYLG-UHFFFAOYSA-N
XLogP0.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
CID 2416190
benzyl 2-dimethylphosphoryloxyacetate
CID 59427280
benzyl propanoate;hydrochloride
CID 140986165
benzyl 2-aminoacetate
CID 122130027
3-O-benzyl 1-O-methyl (2S)-2-[2-[2-oxo-2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]ethoxy]propanedioate
CID 125121025
benzyl 2-(2-chloro-2-oxoethoxy)acetate
CID 86175241
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
benzyl 2-aminoacetate;hydrochloride
CID 11701227
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-chloroacetate
CID 8786

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate?
The IUPAC name of (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate (CID 20645227) is (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate.
What is the SMILES notation for (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate?
The canonical SMILES for (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate is COCC(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate?
The InChIKey is XMVNSJMTHFQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-15-8-11(13)17-9-12(14)16-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate?
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate has a molecular weight of 238.24 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate is sourced from PubChem (CID 20645227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).