4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane

C14H18O4 — CID 14850336

IUPAC4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCOC1CC(OCc2ccccc2)C2COC1O2
InChIInChI=1S/C14H18O4/c1-15-12-7-11(13-9-17-14(12)18-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKeyMIVZOPZPQJYIKG-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.73
Rot. Bonds4

About 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane

4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 14850336) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID14850336
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCOC1CC(OCc2ccccc2)C2COC1O2
InChIInChI=1S/C14H18O4/c1-15-12-7-11(13-9-17-14(12)18-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3
InChIKeyMIVZOPZPQJYIKG-UHFFFAOYSA-N
XLogP1.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.73
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
(1R,2S,4R,5R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-amine
CID 67930816
2-methoxy-4-[(3-methylphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octane
CID 70384247
(1R,2S,4R,5R)-2-[(2-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930857
(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,2S,4R,5R,7S)-4-methoxy-7-methyl-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851120
(1R,2R,3R,4S)-3-fluoro-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384779
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
(1R,2R,3R,4R,5R)-3-ethoxy-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 67930823
(2S,4R,7S)-7-ethyl-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70383436

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane (CID 14850336) is 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is COC1CC(OCc2ccccc2)C2COC1O2.
What is the InChIKey of 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is MIVZOPZPQJYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-15-12-7-11(13-9-17-14(12)18-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3.
What are the key properties of 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane?
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 250.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 14850336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).