[(3R,4R)-4-phenyloxolan-3-yl] benzoate

C17H16O3 — CID 126600996

IUPAC[(3R,4R)-4-phenyloxolan-3-yl] benzoate
SMILESO=C(O[C@H]1COC[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-17(14-9-5-2-6-10-14)20-16-12-19-11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1
InChIKeyNAALVFREJLPCPM-HOTGVXAUSA-N
MW268.31 g/mol
LogP3.03
Rot. Bonds3

About [(3R,4R)-4-phenyloxolan-3-yl] benzoate

[(3R,4R)-4-phenyloxolan-3-yl] benzoate (PubChem CID 126600996) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is [(3R,4R)-4-phenyloxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(3R,4R)-4-phenyloxolan-3-yl] benzoate
PubChem CID126600996
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name[(3R,4R)-4-phenyloxolan-3-yl] benzoate
SMILESO=C(O[C@H]1COC[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O3/c18-17(14-9-5-2-6-10-14)20-16-12-19-11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1
InChIKeyNAALVFREJLPCPM-HOTGVXAUSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(3R)-4-hydroxyoxan-3-yl] benzoate
CID 155182025
[(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
(4-aminooxan-3-yl) benzoate
CID 68668779
ethane;(4-phenylpiperidin-3-yl) benzoate
CID 90732445
[(4S,5R)-2,5-dibenzoyloxyoxan-4-yl] benzoate
CID 14079539
[(3S,5S)-5-phenyloxolan-3-yl] benzoate
CID 101478527
[(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-hydroxyoxan-3-yl] benzoate
CID 141162171
[4-benzoyloxy-5-(hydroxymethyl)oxolan-3-yl] benzoate
CID 123161698
[(3S,5R,6R)-5,6-dibenzoyloxyoxan-3-yl] benzoate
CID 15870520
(5-oxooxolan-3-yl) benzoate
CID 85106877

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyloxolan-3-yl] benzoate?
The IUPAC name of [(3R,4R)-4-phenyloxolan-3-yl] benzoate (CID 126600996) is [(3R,4R)-4-phenyloxolan-3-yl] benzoate.
What is the SMILES notation for [(3R,4R)-4-phenyloxolan-3-yl] benzoate?
The canonical SMILES for [(3R,4R)-4-phenyloxolan-3-yl] benzoate is O=C(O[C@H]1COC[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyloxolan-3-yl] benzoate?
The InChIKey is NAALVFREJLPCPM-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(14-9-5-2-6-10-14)20-16-12-19-11-15(16)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1.
What are the key properties of [(3R,4R)-4-phenyloxolan-3-yl] benzoate?
[(3R,4R)-4-phenyloxolan-3-yl] benzoate has a molecular weight of 268.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyloxolan-3-yl] benzoate is sourced from PubChem (CID 126600996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).