[(3R)-3-phenylmethoxyoxolan-2-yl] acetate

C13H16O4 — CID 134857022

IUPAC[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
SMILESCC(=O)OC1OCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H16O4/c1-10(14)17-13-12(7-8-15-13)16-9-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13?/m1/s1
InChIKeyICUJZRPQSOYWSL-PZORYLMUSA-N
MW236.27 g/mol
LogP1.88
Rot. Bonds4

About [(3R)-3-phenylmethoxyoxolan-2-yl] acetate

[(3R)-3-phenylmethoxyoxolan-2-yl] acetate (PubChem CID 134857022) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(3R)-3-phenylmethoxyoxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
PubChem CID134857022
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
SMILESCC(=O)OC1OCC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H16O4/c1-10(14)17-13-12(7-8-15-13)16-9-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13?/m1/s1
InChIKeyICUJZRPQSOYWSL-PZORYLMUSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
CID 23271774
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
[3-acetyloxy-2-[4,5-diacetyloxy-6-(4,5,6-triacetyloxyoxan-3-yl)oxyoxan-3-yl]oxy-5-phenylmethoxyoxan-4-yl] acetate
CID 162876511
[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 11132398
[(2R,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921480
[(1S,2R,3R,4S,5R,6S)-3-hydroxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] acetate
CID 10674783
[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-tris(phenylmethoxy)cyclohexyl] acetate
CID 100921481
[(2R,3S,4S,5R,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 12900869
[(2R,3S,4R,5S,6R)-4,5,6-tris(phenylmethoxy)-2-phenylsulfanyloxepan-3-yl] acetate
CID 11570600
(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl acetate
CID 134882849

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-phenylmethoxyoxolan-2-yl] acetate?
The IUPAC name of [(3R)-3-phenylmethoxyoxolan-2-yl] acetate (CID 134857022) is [(3R)-3-phenylmethoxyoxolan-2-yl] acetate.
What is the SMILES notation for [(3R)-3-phenylmethoxyoxolan-2-yl] acetate?
The canonical SMILES for [(3R)-3-phenylmethoxyoxolan-2-yl] acetate is CC(=O)OC1OCC[C@H]1OCc1ccccc1.
What is the InChIKey of [(3R)-3-phenylmethoxyoxolan-2-yl] acetate?
The InChIKey is ICUJZRPQSOYWSL-PZORYLMUSA-N. The full InChI is InChI=1S/C13H16O4/c1-10(14)17-13-12(7-8-15-13)16-9-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-,13?/m1/s1.
What are the key properties of [(3R)-3-phenylmethoxyoxolan-2-yl] acetate?
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate has a molecular weight of 236.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-phenylmethoxyoxolan-2-yl] acetate is sourced from PubChem (CID 134857022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).