(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol

C15H20O6 — CID 59011054

IUPAC(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol
SMILESCOc1ccc(COC2[C@H]3OCC(O3)[C@H](O)[C@@H]2OC)cc1
InChIInChI=1S/C15H20O6/c1-17-10-5-3-9(4-6-10)7-19-14-13(18-2)12(16)11-8-20-15(14)21-11/h3-6,11-16H,7-8H2,1-2H3/t11?,12-,13-,14?,15-/m0/s1
InChIKeyBMCFSHOUFVWWHK-SNEDNNOVSA-N
MW296.32 g/mol
LogP0.71
Rot. Bonds5

About (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol

(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol (PubChem CID 59011054) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol
PubChem CID59011054
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol
SMILESCOc1ccc(COC2[C@H]3OCC(O3)[C@H](O)[C@@H]2OC)cc1
InChIInChI=1S/C15H20O6/c1-17-10-5-3-9(4-6-10)7-19-14-13(18-2)12(16)11-8-20-15(14)21-11/h3-6,11-16H,7-8H2,1-2H3/t11?,12-,13-,14?,15-/m0/s1
InChIKeyBMCFSHOUFVWWHK-SNEDNNOVSA-N
XLogP0.71
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(1R,2R,3S,4R,5R)-4-butoxy-3-methoxy-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 140637415
(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
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
(4aR,6S,7R,8S,8aS)-6-methoxy-2-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 10812626
(2R,3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171122948
(1R,2R,3R,4S)-3-fluoro-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384779
(1R,2R,3R,4R,5R)-3-ethoxy-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930823
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
CID 171126723

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol (CID 59011054) is (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol is COc1ccc(COC2[C@H]3OCC(O3)[C@H](O)[C@@H]2OC)cc1.
What is the InChIKey of (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol?
The InChIKey is BMCFSHOUFVWWHK-SNEDNNOVSA-N. The full InChI is InChI=1S/C15H20O6/c1-17-10-5-3-9(4-6-10)7-19-14-13(18-2)12(16)11-8-20-15(14)21-11/h3-6,11-16H,7-8H2,1-2H3/t11?,12-,13-,14?,15-/m0/s1.
What are the key properties of (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol?
(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol has a molecular weight of 296.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 59011054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).