[(2R)-2-acetyloxy-2-phenylethyl] acetate

C12H14O4 — CID 12571394

IUPAC[(2R)-2-acetyloxy-2-phenylethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C12H14O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKeyWCYRXMRSUIXKRC-LBPRGKRZSA-N
MW222.24 g/mol
LogP1.85
Rot. Bonds4

About [(2R)-2-acetyloxy-2-phenylethyl] acetate

[(2R)-2-acetyloxy-2-phenylethyl] acetate (PubChem CID 12571394) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-2-phenylethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-2-phenylethyl] acetate
PubChem CID12571394
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name[(2R)-2-acetyloxy-2-phenylethyl] acetate
SMILESCC(=O)OC[C@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C12H14O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKeyWCYRXMRSUIXKRC-LBPRGKRZSA-N
XLogP1.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-2-phenylethyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-2-phenylethyl] acetate (CID 12571394) is [(2R)-2-acetyloxy-2-phenylethyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-2-phenylethyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-2-phenylethyl] acetate is CC(=O)OC[C@H](OC(C)=O)c1ccccc1.
What is the InChIKey of [(2R)-2-acetyloxy-2-phenylethyl] acetate?
The InChIKey is WCYRXMRSUIXKRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O4/c1-9(13)15-8-12(16-10(2)14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2R)-2-acetyloxy-2-phenylethyl] acetate?
[(2R)-2-acetyloxy-2-phenylethyl] acetate has a molecular weight of 222.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-2-phenylethyl] acetate is sourced from PubChem (CID 12571394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).