1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane

C13H16O3 — CID 54302895

IUPAC1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane
SMILESc1ccc(COC23COC(CCO2)C3)cc1
InChIInChI=1S/C13H16O3/c1-2-4-11(5-3-1)9-16-13-8-12(14-10-13)6-7-15-13/h1-5,12H,6-10H2
InChIKeySFLZCUXEVXWACB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.11
Rot. Bonds3

About 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane

1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane (PubChem CID 54302895) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane
PubChem CID54302895
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane
SMILESc1ccc(COC23COC(CCO2)C3)cc1
InChIInChI=1S/C13H16O3/c1-2-4-11(5-3-1)9-16-13-8-12(14-10-13)6-7-15-13/h1-5,12H,6-10H2
InChIKeySFLZCUXEVXWACB-UHFFFAOYSA-N
XLogP2.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenylmethoxy-5-oxaspiro[3.5]nonan-8-amine
CID 79903838
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
(2S,3S)-3-ethenyl-2-methyl-3-phenylmethoxy-2,6-dihydropyran
CID 10775823
2-phenylmethoxyoxetane
CID 23030739
(2R,3S)-3-ethenyl-2-phenyl-3-phenylmethoxy-2,6-dihydropyran
CID 101083176
(1S,2S,5R,6R)-1-phenylmethoxy-9,10-dioxatricyclo[4.2.1.12,5]decane
CID 11413921
1-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 18924232
(1R,2S,5R)-2,4,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 67930773
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
5-methyl-2-(2-methylpropyl)-5-phenylmethoxy-1,3-dioxane
CID 21397275
(3aR,4R,6aS)-6a-methyl-4-phenylmethoxy-3,3a,4,5-tetrahydro-2H-furo[2,3-b]furan
CID 145031681
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane (CID 54302895) is 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane is c1ccc(COC23COC(CCO2)C3)cc1.
What is the InChIKey of 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane?
The InChIKey is SFLZCUXEVXWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-4-11(5-3-1)9-16-13-8-12(14-10-13)6-7-15-13/h1-5,12H,6-10H2.
What are the key properties of 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane?
1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane has a molecular weight of 220.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 54302895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).