2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate

C13H18O3 — CID 175069063

IUPAC2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
SMILESCC(C)(C)COC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-13(2,3)9-16-12(15)11(14)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m1/s1
InChIKeyOIRJQRBXURYBKD-LLVKDONJSA-N
MW222.28 g/mol
LogP2.31
Rot. Bonds3

About 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate

2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate (PubChem CID 175069063) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
PubChem CID175069063
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
SMILESCC(C)(C)COC(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C13H18O3/c1-13(2,3)9-16-12(15)11(14)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m1/s1
InChIKeyOIRJQRBXURYBKD-LLVKDONJSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
2,2-dimethylpropyl 1-phenylethyl carbonate
CID 162779027
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
1-hydroxy-4,4-dimethyl-1-phenylpentan-2-one
CID 58128890
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate (CID 175069063) is 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate is CC(C)(C)COC(=O)[C@H](O)c1ccccc1.
What is the InChIKey of 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is OIRJQRBXURYBKD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2,3)9-16-12(15)11(14)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate?
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 222.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 175069063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).