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

C15H20O4 — CID 170851119

IUPAC(1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2ccccc2)[C@@]2(C)CO[C@@H]1O2
InChIInChI=1S/C15H20O4/c1-15-10-18-14(19-15)12(16-2)8-13(15)17-9-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyLIEHCJVEHYSKOY-LXTVHRRPSA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds4

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

(1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 170851119) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID170851119
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2ccccc2)[C@@]2(C)CO[C@@H]1O2
InChIInChI=1S/C15H20O4/c1-15-10-18-14(19-15)12(16-2)8-13(15)17-9-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChIKeyLIEHCJVEHYSKOY-LXTVHRRPSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384086
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
(1R,2S,4R,5R,7S)-4-methoxy-7-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851120
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
(2S,4R,7S)-7-ethyl-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70383436
(1S,3S,4R)-4-methyl-3-phenylmethoxy-7-oxabicyclo[2.2.1]heptane-1-carbonitrile
CID 70442331
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(1R,2S,5S)-5-methoxy-1-methyl-2-phenylmethoxy-9-oxabicyclo[3.3.1]nonane
CID 67906969
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (CID 170851119) is (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCc2ccccc2)[C@@]2(C)CO[C@@H]1O2.
What is the InChIKey of (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is LIEHCJVEHYSKOY-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H20O4/c1-15-10-18-14(19-15)12(16-2)8-13(15)17-9-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R,5R)-4-methoxy-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 264.32 g/mol, XLogP of 2.12, 4 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-1-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 170851119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).