(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane

C14H17FO4 — CID 67930848

IUPAC(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2cccc(F)c2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C14H17FO4/c1-16-12-6-11(13-8-18-14(12)19-13)17-7-9-3-2-4-10(15)5-9/h2-5,11-14H,6-8H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyGZGLEMVHIAZWPA-REWJHTLYSA-N
MW268.28 g/mol
LogP1.87
Rot. Bonds4

About (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 67930848) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
PubChem CID67930848
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
SMILESCO[C@@H]1C[C@H](OCc2cccc(F)c2)[C@H]2CO[C@@H]1O2
InChIInChI=1S/C14H17FO4/c1-16-12-6-11(13-8-18-14(12)19-13)17-7-9-3-2-4-10(15)5-9/h2-5,11-14H,6-8H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyGZGLEMVHIAZWPA-REWJHTLYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane with MolForge

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Related Compounds

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)-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
(3S,3aR,6S,6aR)-6-[(3-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 131632068
(4aR,6S,7R,8S,8aR)-7,8-bis[(3-fluorophenyl)methoxy]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 102095971
(1R,2S,4R)-2-(cyclobutylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384369
2-methoxy-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74021074
(1R,2S,4R,5R)-2-(cyclooctylmethoxy)-4-methoxy-6,8-dioxabicyclo[3.2.1]octane
CID 170851102
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane (CID 67930848) is (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is CO[C@@H]1C[C@H](OCc2cccc(F)c2)[C@H]2CO[C@@H]1O2.
What is the InChIKey of (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is GZGLEMVHIAZWPA-REWJHTLYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-16-12-6-11(13-8-18-14(12)19-13)17-7-9-3-2-4-10(15)5-9/h2-5,11-14H,6-8H2,1H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane?
(1R,2S,4R,5R)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 268.28 g/mol, XLogP of 1.87, 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)-2-[(3-fluorophenyl)methoxy]-4-methoxy-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 67930848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).