[(3R,5R)-5-phenyloxolan-3-yl] acetate

C12H14O3 — CID 90478074

IUPAC[(3R,5R)-5-phenyloxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H14O3/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyWVLNGJLSAOPEFZ-VXGBXAGGSA-N
MW206.24 g/mol
LogP2.08
Rot. Bonds2

About [(3R,5R)-5-phenyloxolan-3-yl] acetate

[(3R,5R)-5-phenyloxolan-3-yl] acetate (PubChem CID 90478074) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(3R,5R)-5-phenyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-phenyloxolan-3-yl] acetate
PubChem CID90478074
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[(3R,5R)-5-phenyloxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1CO[C@@H](c2ccccc2)C1
InChIInChI=1S/C12H14O3/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyWVLNGJLSAOPEFZ-VXGBXAGGSA-N
XLogP2.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5S)-5-phenyloxolan-3-yl] benzoate
CID 101478527
[5-(4-tributylstannylphenyl)oxolan-3-yl] acetate
CID 69183346
[(4S,6S)-4-hydroxy-6-phenyloxan-2-yl] acetate
CID 134833790
methyl 3-(4-acetyloxy-6-phenyloxan-2-yl)benzoate
CID 121302378
[(2S,4R)-2-(4-chlorophenyl)oxan-4-yl] acetate
CID 16735602
(5-phenyloxolan-2-yl) acetate
CID 121009133
[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
ethane;2-phenyloxirane
CID 54171856
4-[(2-methylphenyl)methoxy]-2-phenyloxolane
CID 21326622
2-phenyloxirane
CID 7276
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
[(3S,6R)-6-phenyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 102226049

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-phenyloxolan-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-phenyloxolan-3-yl] acetate (CID 90478074) is [(3R,5R)-5-phenyloxolan-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-phenyloxolan-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-phenyloxolan-3-yl] acetate is CC(=O)O[C@H]1CO[C@@H](c2ccccc2)C1.
What is the InChIKey of [(3R,5R)-5-phenyloxolan-3-yl] acetate?
The InChIKey is WVLNGJLSAOPEFZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H14O3/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(3R,5R)-5-phenyloxolan-3-yl] acetate?
[(3R,5R)-5-phenyloxolan-3-yl] acetate has a molecular weight of 206.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-phenyloxolan-3-yl] acetate is sourced from PubChem (CID 90478074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).