[(3S,5S)-5-phenyloxolan-3-yl] benzoate

C17H16O3 — CID 101478527

IUPAC[(3S,5S)-5-phenyloxolan-3-yl] benzoate
SMILESO=C(O[C@@H]1CO[C@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-17(14-9-5-2-6-10-14)20-15-11-16(19-12-15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1
InChIKeyGVLXUZOYJYLTRG-HOTGVXAUSA-N
MW268.31 g/mol
LogP3.37
Rot. Bonds3

About [(3S,5S)-5-phenyloxolan-3-yl] benzoate

[(3S,5S)-5-phenyloxolan-3-yl] benzoate (PubChem CID 101478527) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [(3S,5S)-5-phenyloxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(3S,5S)-5-phenyloxolan-3-yl] benzoate
PubChem CID101478527
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[(3S,5S)-5-phenyloxolan-3-yl] benzoate
SMILESO=C(O[C@@H]1CO[C@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-17(14-9-5-2-6-10-14)20-15-11-16(19-12-15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1
InChIKeyGVLXUZOYJYLTRG-HOTGVXAUSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5R)-5-phenyloxolan-3-yl] acetate
CID 90478074
CID 87858468
CID 87858468
[(3S,5R,6R)-5,6-dibenzoyloxyoxan-3-yl] benzoate
CID 15870520
(5-oxooxolan-3-yl) benzoate
CID 85106877
(2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzoate
CID 22910957
[(2R,4aR,7R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-methylbenzoate
CID 96925827
[(1S,3S)-3-hydroxycyclopentyl] benzoate
CID 177453571
(2,2-dioxo-1,3,2-dioxathian-5-yl) benzoate
CID 10801175
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-phenyloxolan-3-yl] benzoate?
The IUPAC name of [(3S,5S)-5-phenyloxolan-3-yl] benzoate (CID 101478527) is [(3S,5S)-5-phenyloxolan-3-yl] benzoate.
What is the SMILES notation for [(3S,5S)-5-phenyloxolan-3-yl] benzoate?
The canonical SMILES for [(3S,5S)-5-phenyloxolan-3-yl] benzoate is O=C(O[C@@H]1CO[C@H](c2ccccc2)C1)c1ccccc1.
What is the InChIKey of [(3S,5S)-5-phenyloxolan-3-yl] benzoate?
The InChIKey is GVLXUZOYJYLTRG-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(14-9-5-2-6-10-14)20-15-11-16(19-12-15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1.
What are the key properties of [(3S,5S)-5-phenyloxolan-3-yl] benzoate?
[(3S,5S)-5-phenyloxolan-3-yl] benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-phenyloxolan-3-yl] benzoate is sourced from PubChem (CID 101478527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).