[(2S,3R)-2-phenacyloxan-3-yl] acetate

C15H18O4 — CID 101372581

IUPAC[(2S,3R)-2-phenacyloxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCO[C@H]1CC(=O)c1ccccc1
InChIInChI=1S/C15H18O4/c1-11(16)19-14-8-5-9-18-15(14)10-13(17)12-6-3-2-4-7-12/h2-4,6-7,14-15H,5,8-10H2,1H3/t14-,15+/m1/s1
InChIKeyHNYHFZKRBVJODO-CABCVRRESA-N
MW262.30 g/mol
LogP2.37
Rot. Bonds4

About [(2S,3R)-2-phenacyloxan-3-yl] acetate

[(2S,3R)-2-phenacyloxan-3-yl] acetate (PubChem CID 101372581) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is [(2S,3R)-2-phenacyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R)-2-phenacyloxan-3-yl] acetate
PubChem CID101372581
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name[(2S,3R)-2-phenacyloxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1CCCO[C@H]1CC(=O)c1ccccc1
InChIInChI=1S/C15H18O4/c1-11(16)19-14-8-5-9-18-15(14)10-13(17)12-6-3-2-4-7-12/h2-4,6-7,14-15H,5,8-10H2,1H3/t14-,15+/m1/s1
InChIKeyHNYHFZKRBVJODO-CABCVRRESA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-acetyloxyoxolan-2-yl)methyl benzoate
CID 142930577
[(2S,3S)-2-(2-phenylethynyl)oxan-3-yl] acetate
CID 10900866
[(2R,3R)-2-(phenylmethoxycarbonylamino)oxan-3-yl] acetate
CID 102510508
acetic acid;[(2S,3S)-2-bromooxan-3-yl] acetate
CID 170946970
[(2S,3R)-2-acetyloxyoxan-3-yl] (2S)-2-hydroxy-2-phenylacetate
CID 16743876
2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
2-[(2R,3S)-3-hydroxyoxan-2-yl]-1-naphthalen-2-ylethanone
CID 11694682
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
CID 59710006
1-phenyl-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]ethanone
CID 46240977
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-phenacyloxan-3-yl] acetate?
The IUPAC name of [(2S,3R)-2-phenacyloxan-3-yl] acetate (CID 101372581) is [(2S,3R)-2-phenacyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R)-2-phenacyloxan-3-yl] acetate?
The canonical SMILES for [(2S,3R)-2-phenacyloxan-3-yl] acetate is CC(=O)O[C@@H]1CCCO[C@H]1CC(=O)c1ccccc1.
What is the InChIKey of [(2S,3R)-2-phenacyloxan-3-yl] acetate?
The InChIKey is HNYHFZKRBVJODO-CABCVRRESA-N. The full InChI is InChI=1S/C15H18O4/c1-11(16)19-14-8-5-9-18-15(14)10-13(17)12-6-3-2-4-7-12/h2-4,6-7,14-15H,5,8-10H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(2S,3R)-2-phenacyloxan-3-yl] acetate?
[(2S,3R)-2-phenacyloxan-3-yl] acetate has a molecular weight of 262.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-phenacyloxan-3-yl] acetate is sourced from PubChem (CID 101372581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).