(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C19H18O5 — CID 129385478

IUPAC(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESO=C1O[C@H](COCc2ccccc2)[C@H]2O[C@@H](c3ccccc3)O[C@@H]12
InChIInChI=1S/C19H18O5/c20-18-17-16(23-19(24-17)14-9-5-2-6-10-14)15(22-18)12-21-11-13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2/t15-,16-,17-,19-/m1/s1
InChIKeyGERKBPQOPJOOHJ-YWTNHNAXSA-N
MW326.35 g/mol
LogP2.61
Rot. Bonds5

About (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 129385478) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID129385478
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESO=C1O[C@H](COCc2ccccc2)[C@H]2O[C@@H](c3ccccc3)O[C@@H]12
InChIInChI=1S/C19H18O5/c20-18-17-16(23-19(24-17)14-9-5-2-6-10-14)15(22-18)12-21-11-13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2/t15-,16-,17-,19-/m1/s1
InChIKeyGERKBPQOPJOOHJ-YWTNHNAXSA-N
XLogP2.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 76787690
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(3aR,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ol;methanethiol
CID 142266651
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 77175213
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one
CID 12020935
(2S,3S,4S,5R)-2,5-diphenyl-3,4-bis(phenylmethoxymethyl)oxolane
CID 10994244
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 129385478) is (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is O=C1O[C@H](COCc2ccccc2)[C@H]2O[C@@H](c3ccccc3)O[C@@H]12.
What is the InChIKey of (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is GERKBPQOPJOOHJ-YWTNHNAXSA-N. The full InChI is InChI=1S/C19H18O5/c20-18-17-16(23-19(24-17)14-9-5-2-6-10-14)15(22-18)12-21-11-13-7-3-1-4-8-13/h1-10,15-17,19H,11-12H2/t15-,16-,17-,19-/m1/s1.
What are the key properties of (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
(2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 326.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6R,6aR)-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 129385478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).