(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C12H14O4 — CID 22808602

IUPAC(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2Oc1ccccc1
InChIInChI=1S/C12H14O4/c13-9-6-14-12-10(7-15-11(9)12)16-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-,12-/m1/s1
InChIKeyGBCOBODHPUMBLK-WRWGMCAJSA-N
MW222.24 g/mol
LogP0.59
Rot. Bonds2

About (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 22808602) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID22808602
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2Oc1ccccc1
InChIInChI=1S/C12H14O4/c13-9-6-14-12-10(7-15-11(9)12)16-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-,12-/m1/s1
InChIKeyGBCOBODHPUMBLK-WRWGMCAJSA-N
XLogP0.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,3aR,6R,6aR)-3-phenoxycarbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] phenyl carbonate
CID 11338157
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy-oxo-phenylphosphanium
CID 118100619
[4-[[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]phenyl]boronic acid
CID 170790262
(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 163517831
3-[(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxycarbonyl]benzoic acid
CID 20727104
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(2R)-2-phenoxyoxolane-3,4-diol
CID 18658260
[(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
(6-diphenoxyphosphanyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl) diphenyl phosphite
CID 138547878
[(3S,3aR,6R,6aR)-3-carboxyoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] hydrogen carbonate;1,1'-biphenyl
CID 118173862

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 22808602) is (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2Oc1ccccc1.
What is the InChIKey of (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is GBCOBODHPUMBLK-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H14O4/c13-9-6-14-12-10(7-15-11(9)12)16-8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10+,11-,12-/m1/s1.
What are the key properties of (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 222.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 22808602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).