[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol

C15H20O5 — CID 59895841

IUPAC[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol
SMILESCO[C@@H]1O[C@@]2(CO)COCC1[C@H]2OCc1ccccc1
InChIInChI=1S/C15H20O5/c1-17-14-12-8-18-10-15(9-16,20-14)13(12)19-7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3/t12?,13-,14-,15+/m1/s1
InChIKeyAYJGSVGESGNUJY-NUDNTCICSA-N
MW280.32 g/mol
LogP0.95
Rot. Bonds5

About [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol

[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol (PubChem CID 59895841) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol.

Molecular Properties

Compound Name[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol
PubChem CID59895841
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol
SMILESCO[C@@H]1O[C@@]2(CO)COCC1[C@H]2OCc1ccccc1
InChIInChI=1S/C15H20O5/c1-17-14-12-8-18-10-15(9-16,20-14)13(12)19-7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3/t12?,13-,14-,15+/m1/s1
InChIKeyAYJGSVGESGNUJY-NUDNTCICSA-N
XLogP0.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol with MolForge

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Related Compounds

[(5R,7R,8R)-7-acetyloxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methyl acetate
CID 91071180
[(1S,4R,7S)-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 13009662
(1S,4R,7S)-3-methoxy-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptane
CID 100938642
[(1S,2S,3S,4S)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]methanol
CID 174043893
[(1R,4S)-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 140600133
(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
CID 155013546
(1R,3R,4R,5S,6R)-3-methoxy-4-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-ol
CID 11958276
(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene
CID 135069642
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(3S,3aR,5S,6S,6aS)-5-methoxy-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 25179057
(1S,4R,5S,7S)-1-ethyl-7-phenylmethoxy-2-oxabicyclo[2.2.1]heptan-5-ol
CID 158067910

Frequently Asked Questions

What is the IUPAC name of [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol?
The IUPAC name of [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol (CID 59895841) is [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol.
What is the SMILES notation for [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol?
The canonical SMILES for [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol is CO[C@@H]1O[C@@]2(CO)COCC1[C@H]2OCc1ccccc1.
What is the InChIKey of [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol?
The InChIKey is AYJGSVGESGNUJY-NUDNTCICSA-N. The full InChI is InChI=1S/C15H20O5/c1-17-14-12-8-18-10-15(9-16,20-14)13(12)19-7-11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3/t12?,13-,14-,15+/m1/s1.
What are the key properties of [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol?
[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol has a molecular weight of 280.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol is sourced from PubChem (CID 59895841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).