(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane

C13H16O4 — CID 170851211

IUPAC(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](Oc2ccccc2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C13H16O4/c1-14-11-7-10(12-8-15-13(11)17-12)16-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
InChIKeyFXOBZQSOJCNZCD-UMSGYPCISA-N
MW236.27 g/mol
LogP1.59
Rot. Bonds3

About (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 170851211) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID170851211
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](Oc2ccccc2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C13H16O4/c1-14-11-7-10(12-8-15-13(11)17-12)16-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
InChIKeyFXOBZQSOJCNZCD-UMSGYPCISA-N
XLogP1.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane with MolForge

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Launch Full Analysis

Related Compounds

4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
(1R,2S,4R,5R)-2-[(2-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930857
(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930848
2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane
CID 70384247
(1R,2S,4R)-2-hexoxy-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384631
(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384369
(1S,2S,3S,4R,5R)-2-amino-4-phenoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314319
(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane
CID 54108121
2-methoxy-N-methyl-3-phenoxycyclobutan-1-amine
CID 104674319
(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 67930816
(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 22808602
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane (CID 170851211) is (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](Oc2ccccc2)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is FXOBZQSOJCNZCD-UMSGYPCISA-N. The full InChI is InChI=1S/C13H16O4/c1-14-11-7-10(12-8-15-13(11)17-12)16-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 236.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 170851211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).