(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one

C19H18O2 — CID 98624727

IUPAC(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1[C@@H](c2ccccc2)[C@H]2CC[C@@H](O2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H18O2/c20-19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(19)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyNCLNSCDVGHOETK-BDXSIMOUSA-N
MW278.35 g/mol
LogP3.68
Rot. Bonds2

About (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one

(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one (PubChem CID 98624727) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one
PubChem CID98624727
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1[C@@H](c2ccccc2)[C@H]2CC[C@@H](O2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H18O2/c20-19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(19)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17+,18+/m1/s1
InChIKeyNCLNSCDVGHOETK-BDXSIMOUSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one with MolForge

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Launch Full Analysis

Related Compounds

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(1R,2R,3S,4S)-3-phenyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
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CID 102139812
(1R,2S,5S,7S)-2-hydroxy-7-phenylbicyclo[3.2.0]heptan-6-one
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5-phenyloxocane-2,8-dione
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(1R,3S,7R,10S,12R)-12-phenyl-2,6,11,13-tetraoxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 11185375
3-hydroxy-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 134693339
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one (CID 98624727) is (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one is O=C1[C@@H](c2ccccc2)[C@H]2CC[C@@H](O2)[C@@H]1c1ccccc1.
What is the InChIKey of (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is NCLNSCDVGHOETK-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H18O2/c20-19-17(13-7-3-1-4-8-13)15-11-12-16(21-15)18(19)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2/t15-,16-,17+,18+/m1/s1.
What are the key properties of (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one?
(1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 278.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 98624727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).