(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol

C20H22O5 — CID 10947855

IUPAC(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESO[C@@H]1CO[C@@H]2O[C@H]1[C@H](OCc1ccccc1)[C@H]2OCc1ccccc1
InChIInChI=1S/C20H22O5/c21-16-13-24-20-19(23-12-15-9-5-2-6-10-15)18(17(16)25-20)22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2/t16-,17-,18+,19-,20-/m1/s1
InChIKeyZEUWLFIOQYWUPH-OUUBHVDSSA-N
MW342.39 g/mol
LogP2.27
Rot. Bonds6

About (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol

(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol (PubChem CID 10947855) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
PubChem CID10947855
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
SMILESO[C@@H]1CO[C@@H]2O[C@H]1[C@H](OCc1ccccc1)[C@H]2OCc1ccccc1
InChIInChI=1S/C20H22O5/c21-16-13-24-20-19(23-12-15-9-5-2-6-10-15)18(17(16)25-20)22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2/t16-,17-,18+,19-,20-/m1/s1
InChIKeyZEUWLFIOQYWUPH-OUUBHVDSSA-N
XLogP2.27
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol with MolForge

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Related Compounds

[(1R,4R,5R,6S,7R)-4-hydroxy-6-phenylmethoxy-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate
CID 154033717
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(1S,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(3S,3aR,5S,6S,6aS)-5-methoxy-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 25179057
[(1R,4R,5R,6S,7R)-4,6-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-7-yl] benzoate
CID 154033714
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(2R,4R,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 88623037
(1S,2S,4S,6S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 170910139
(1R,2R,4R,5S,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 10900554
(1R,2R,3S,4R,5R)-4-chloro-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10880183
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol (CID 10947855) is (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol is O[C@@H]1CO[C@@H]2O[C@H]1[C@H](OCc1ccccc1)[C@H]2OCc1ccccc1.
What is the InChIKey of (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol?
The InChIKey is ZEUWLFIOQYWUPH-OUUBHVDSSA-N. The full InChI is InChI=1S/C20H22O5/c21-16-13-24-20-19(23-12-15-9-5-2-6-10-15)18(17(16)25-20)22-11-14-7-3-1-4-8-14/h1-10,16-21H,11-13H2/t16-,17-,18+,19-,20-/m1/s1.
What are the key properties of (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol?
(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol has a molecular weight of 342.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 10947855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).