(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol

C20H22O5 — CID 11035262

IUPAC(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H22O5/c21-17-18(22-11-14-7-3-1-4-8-14)16-13-24-20(25-16)19(17)23-12-15-9-5-2-6-10-15/h1-10,16-21H,11-13H2/t16-,17+,18-,19-,20-/m1/s1
InChIKeyMXNWLHBKIGOLJO-USYVTKNRSA-N
MW342.39 g/mol
LogP2.27
Rot. Bonds6

About (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 11035262) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID11035262
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESO[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1OCc1ccccc1
InChIInChI=1S/C20H22O5/c21-17-18(22-11-14-7-3-1-4-8-14)16-13-24-20(25-16)19(17)23-12-15-9-5-2-6-10-15/h1-10,16-21H,11-13H2/t16-,17+,18-,19-,20-/m1/s1
InChIKeyMXNWLHBKIGOLJO-USYVTKNRSA-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,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 11035262) is (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol is O[C@@H]1[C@@H](OCc2ccccc2)[C@@H]2OC[C@@H](O2)[C@H]1OCc1ccccc1.
What is the InChIKey of (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is MXNWLHBKIGOLJO-USYVTKNRSA-N. The full InChI is InChI=1S/C20H22O5/c21-17-18(22-11-14-7-3-1-4-8-14)16-13-24-20(25-16)19(17)23-12-15-9-5-2-6-10-15/h1-10,16-21H,11-13H2/t16-,17+,18-,19-,20-/m1/s1.
What are the key properties of (1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1R,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-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,2S,3S,4R,5R)-2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 11035262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).