[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate

C16H14O4 — CID 11747638

IUPAC[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
SMILESCOC(=O)[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-16(18)14(12-8-4-2-5-9-12)20-15(17)13-10-6-3-7-11-13/h2-11,14H,1H3/t14-/m1/s1
InChIKeyBCACFBSZVINWEO-CQSZACIVSA-N
MW270.28 g/mol
LogP2.76
Rot. Bonds4

About [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate

[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate (PubChem CID 11747638) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate.

Molecular Properties

Compound Name[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
PubChem CID11747638
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
SMILESCOC(=O)[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-16(18)14(12-8-4-2-5-9-12)20-15(17)13-10-6-3-7-11-13/h2-11,14H,1H3/t14-/m1/s1
InChIKeyBCACFBSZVINWEO-CQSZACIVSA-N
XLogP2.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
(2-oxo-2-phenoxy-1-phenylethyl) benzoate
CID 57212874
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
[(1R,2R)-2-chloro-3-methoxy-3-oxo-1-phenylpropyl] benzoate
CID 100965071
[1-(4-bromophenyl)-2-methoxy-2-oxoethyl] 4-(2-phenylethynyl)benzoate
CID 56963790
(2-methoxy-2-oxo-1-phenylethyl) 3-(ethylsulfamoyl)benzoate
CID 43023400
(2-methoxy-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 43023367
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl 2-(2-bromoacetyl)oxy-2-phenylacetate
CID 87076248
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate?
The IUPAC name of [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate (CID 11747638) is [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate.
What is the SMILES notation for [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate?
The canonical SMILES for [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate is COC(=O)[C@H](OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate?
The InChIKey is BCACFBSZVINWEO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-16(18)14(12-8-4-2-5-9-12)20-15(17)13-10-6-3-7-11-13/h2-11,14H,1H3/t14-/m1/s1.
What are the key properties of [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate?
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate has a molecular weight of 270.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate is sourced from PubChem (CID 11747638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).