2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane

C15H20O4 — CID 70384247

IUPAC2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane
SMILESCOC1CC(OCc2cccc(C)c2)C2OCC1O2
InChIInChI=1S/C15H20O4/c1-10-4-3-5-11(6-10)8-17-13-7-12(16-2)14-9-18-15(13)19-14/h3-6,12-15H,7-9H2,1-2H3
InChIKeyGMYJPDUSVKTOFA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds4

About 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane

2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 70384247) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane
PubChem CID70384247
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane
SMILESCOC1CC(OCc2cccc(C)c2)C2OCC1O2
InChIInChI=1S/C15H20O4/c1-10-4-3-5-11(6-10)8-17-13-7-12(16-2)14-9-18-15(13)19-14/h3-6,12-15H,7-9H2,1-2H3
InChIKeyGMYJPDUSVKTOFA-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930848
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-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 67930816
(1R,2S,4R,5R)-4-methoxy-2-phenoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851211
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(1R,2R,3R,4R,5R)-3-ethoxy-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930823
(1R,2S,4R,5R,7S)-4-methoxy-7-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851120
(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384369
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-[(3-methylphenyl)methoxy]oxolane
CID 15389968

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane (CID 70384247) is 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane is COC1CC(OCc2cccc(C)c2)C2OCC1O2.
What is the InChIKey of 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is GMYJPDUSVKTOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-4-3-5-11(6-10)8-17-13-7-12(16-2)14-9-18-15(13)19-14/h3-6,12-15H,7-9H2,1-2H3.
What are the key properties of 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane?
2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 264.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 70384247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).