methyl (2S)-2-phenyl-2-propan-2-yloxyacetate

C12H16O3 — CID 102179999

IUPACmethyl (2S)-2-phenyl-2-propan-2-yloxyacetate
SMILESCOC(=O)[C@@H](OC(C)C)c1ccccc1
InChIInChI=1S/C12H16O3/c1-9(2)15-11(12(13)14-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t11-/m0/s1
InChIKeyUJWYNEUIFLAQEI-NSHDSACASA-N
MW208.26 g/mol
LogP2.33
Rot. Bonds4

About methyl (2S)-2-phenyl-2-propan-2-yloxyacetate

methyl (2S)-2-phenyl-2-propan-2-yloxyacetate (PubChem CID 102179999) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl (2S)-2-phenyl-2-propan-2-yloxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-phenyl-2-propan-2-yloxyacetate
PubChem CID102179999
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl (2S)-2-phenyl-2-propan-2-yloxyacetate
SMILESCOC(=O)[C@@H](OC(C)C)c1ccccc1
InChIInChI=1S/C12H16O3/c1-9(2)15-11(12(13)14-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t11-/m0/s1
InChIKeyUJWYNEUIFLAQEI-NSHDSACASA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 11108847
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260
methyl 2-(2-bromoacetyl)oxy-2-phenylacetate
CID 87076248
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123
methyl 2-deuterio-2-phenylpropanoate
CID 11984149
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methyl 2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-phenylacetate
CID 122393653
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-phenyl-2-propan-2-yloxyacetate?
The IUPAC name of methyl (2S)-2-phenyl-2-propan-2-yloxyacetate (CID 102179999) is methyl (2S)-2-phenyl-2-propan-2-yloxyacetate.
What is the SMILES notation for methyl (2S)-2-phenyl-2-propan-2-yloxyacetate?
The canonical SMILES for methyl (2S)-2-phenyl-2-propan-2-yloxyacetate is COC(=O)[C@@H](OC(C)C)c1ccccc1.
What is the InChIKey of methyl (2S)-2-phenyl-2-propan-2-yloxyacetate?
The InChIKey is UJWYNEUIFLAQEI-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O3/c1-9(2)15-11(12(13)14-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t11-/m0/s1.
What are the key properties of methyl (2S)-2-phenyl-2-propan-2-yloxyacetate?
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate has a molecular weight of 208.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-phenyl-2-propan-2-yloxyacetate is sourced from PubChem (CID 102179999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).