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

C21H24O5 — CID 53243554

IUPAC(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol
SMILESO[C@H]1[C@@H]2OCC[C@@]1(OCc1ccccc1)[C@@H](COCc1ccccc1)O2
InChIInChI=1S/C21H24O5/c22-19-20-24-12-11-21(19,25-14-17-9-5-2-6-10-17)18(26-20)15-23-13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2/t18-,19+,20-,21-/m1/s1
InChIKeyIFSKYRXNVUKKGL-PLACYPQZSA-N
MW356.42 g/mol
LogP2.66
Rot. Bonds7

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

(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol (PubChem CID 53243554) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol
PubChem CID53243554
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol
SMILESO[C@H]1[C@@H]2OCC[C@@]1(OCc1ccccc1)[C@@H](COCc1ccccc1)O2
InChIInChI=1S/C21H24O5/c22-19-20-24-12-11-21(19,25-14-17-9-5-2-6-10-17)18(26-20)15-23-13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2/t18-,19+,20-,21-/m1/s1
InChIKeyIFSKYRXNVUKKGL-PLACYPQZSA-N
XLogP2.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 98170546
3,3,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 141437392
(1R,3R,4R,5S,6R,7R)-6-methoxy-3,4-bis(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octane-4,7-diol
CID 11047985
(1S,3R,4R,5S,6R,7R)-6-methoxy-3,4-bis(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octane-4,7-diol
CID 23229749
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372
5-methyl-1-[(1R,2R,4R,5S)-1-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dioxabicyclo[3.2.0]heptan-4-yl]pyrimidine-2,4-dione
CID 11487746
5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 153362035
methyl (2S,5R)-5-hydroxy-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
CID 91242398
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol?
The IUPAC name of (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol (CID 53243554) is (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol is O[C@H]1[C@@H]2OCC[C@@]1(OCc1ccccc1)[C@@H](COCc1ccccc1)O2.
What is the InChIKey of (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol?
The InChIKey is IFSKYRXNVUKKGL-PLACYPQZSA-N. The full InChI is InChI=1S/C21H24O5/c22-19-20-24-12-11-21(19,25-14-17-9-5-2-6-10-17)18(26-20)15-23-13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2/t18-,19+,20-,21-/m1/s1.
What are the key properties of (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol?
(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol has a molecular weight of 356.42 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 53243554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).