2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

C14H18O5 — CID 74021074

IUPAC2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCOC1C2COC(O2)C(OCc2ccccc2)C1O
InChIInChI=1S/C14H18O5/c1-16-12-10-8-18-14(19-10)13(11(12)15)17-7-9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3
InChIKeyJIARHAQQURSTEH-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.70
Rot. Bonds4

About 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol

2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 74021074) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID74021074
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCOC1C2COC(O2)C(OCc2ccccc2)C1O
InChIInChI=1S/C14H18O5/c1-16-12-10-8-18-14(19-10)13(11(12)15)17-7-9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3
InChIKeyJIARHAQQURSTEH-UHFFFAOYSA-N
XLogP0.70
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(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,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038
(1R,2R,3S,4R,5R)-4-chloro-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10880183
[(1R,2R,3S,4R,5R)-4-acetyloxy-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
CID 14033686
2,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane-3-carbaldehyde
CID 123219168
(2S,3S,5S)-3-methoxy-4-[(4-methoxyphenyl)methoxy]-6,8-dioxabicyclo[3.2.1]octan-2-ol
CID 59011054
(1R,2S,3S,4R,5R)-4-(oxan-2-yloxy)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 12813130
(1S,4R,5R,6R)-3-benzyl-5-phenylmethoxy-7,9-dioxa-3-azatricyclo[4.2.1.02,4]nonane
CID 11198091
(1S,2R,4S,5S,6R)-3-benzyl-5-phenylmethoxy-7,9-dioxa-3-azatricyclo[4.2.1.02,4]nonane
CID 100925390
(1R,2R,4R,5S,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 10900554

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 74021074) is 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is COC1C2COC(O2)C(OCc2ccccc2)C1O.
What is the InChIKey of 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is JIARHAQQURSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-16-12-10-8-18-14(19-10)13(11(12)15)17-7-9-5-3-2-4-6-9/h2-6,10-15H,7-8H2,1H3.
What are the key properties of 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol?
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 266.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 74021074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).