methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate

C17H16O4 — CID 11108847

IUPACmethyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
SMILESCOC(=O)[C@H](O[C@H](C=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O4/c1-20-17(19)16(14-10-6-3-7-11-14)21-15(12-18)13-8-4-2-5-9-13/h2-12,15-16H,1H3/t15-,16-/m1/s1
InChIKeyJSQSUHIOJIEYNA-HZPDHXFCSA-N
MW284.31 g/mol
LogP2.86
Rot. Bonds6

About methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate

methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate (PubChem CID 11108847) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
PubChem CID11108847
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Namemethyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
SMILESCOC(=O)[C@H](O[C@H](C=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O4/c1-20-17(19)16(14-10-6-3-7-11-14)21-15(12-18)13-8-4-2-5-9-13/h2-12,15-16H,1H3/t15-,16-/m1/s1
InChIKeyJSQSUHIOJIEYNA-HZPDHXFCSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-(2-formylphenoxy)-2-phenylacetate
CID 87797080
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate (CID 11108847) is methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate is COC(=O)[C@H](O[C@H](C=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate?
The InChIKey is JSQSUHIOJIEYNA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H16O4/c1-20-17(19)16(14-10-6-3-7-11-14)21-15(12-18)13-8-4-2-5-9-13/h2-12,15-16H,1H3/t15-,16-/m1/s1.
What are the key properties of methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate?
methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate has a molecular weight of 284.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate is sourced from PubChem (CID 11108847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).