1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one

C20H22O2 — CID 68930271

IUPAC1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc3ccccc3c1)O2
InChIInChI=1S/C20H22O2/c1-2-18(21)20-17(12-16-9-10-19(20)22-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17,19-20H,2,9-10,12H2,1H3/t16?,17-,19+,20+/m0/s1
InChIKeyZAZMSNBPXSYJSW-KSRCZVEISA-N
MW294.39 g/mol
LogP4.47
Rot. Bonds3

About 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one

1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one (PubChem CID 68930271) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one
PubChem CID68930271
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one
SMILESCCC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc3ccccc3c1)O2
InChIInChI=1S/C20H22O2/c1-2-18(21)20-17(12-16-9-10-19(20)22-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17,19-20H,2,9-10,12H2,1H3/t16?,17-,19+,20+/m0/s1
InChIKeyZAZMSNBPXSYJSW-KSRCZVEISA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one?
The IUPAC name of 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one (CID 68930271) is 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one?
The canonical SMILES for 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one is CCC(=O)[C@@H]1[C@H]2CCC(C[C@H]1c1ccc3ccccc3c1)O2.
What is the InChIKey of 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one?
The InChIKey is ZAZMSNBPXSYJSW-KSRCZVEISA-N. The full InChI is InChI=1S/C20H22O2/c1-2-18(21)20-17(12-16-9-10-19(20)22-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-17,19-20H,2,9-10,12H2,1H3/t16?,17-,19+,20+/m0/s1.
What are the key properties of 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one?
1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one has a molecular weight of 294.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3R)-3-naphthalen-2-yl-8-oxabicyclo[3.2.1]octan-2-yl]propan-1-one is sourced from PubChem (CID 68930271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).