(1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C19H16O2 — CID 134922771

IUPAC(1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1C(c2ccccc2)[C@@H]2C=C[C@@H](O2)C1c1ccccc1
InChIInChI=1S/C19H16O2/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/h1-12,15-18H/t15-,16+,17?,18?
InChIKeyORSZODHOCRAUJY-OQSMONGASA-N
MW276.34 g/mol
LogP3.46
Rot. Bonds2

About (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 134922771) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID134922771
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1C(c2ccccc2)[C@@H]2C=C[C@@H](O2)C1c1ccccc1
InChIInChI=1S/C19H16O2/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/h1-12,15-18H/t15-,16+,17?,18?
InChIKeyORSZODHOCRAUJY-OQSMONGASA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-3,6-diphenylcyclohex-4-ene-1,2-dione
CID 44583823
Ethyl beta-oxo-alpha-phenylbenzenebutanoate
CID 95325
3,5-Dimethyl-2,6-diphenyloxan-4-one
CID 326146
6-Methyl-3,4-diphenyloxan-2-one
CID 100080
2-Phenyloxan-4-one
CID 18976535
3-Phenyloxan-4-one
CID 58075264
Cis-2,6-Diphenyltetrahydropyrone
CID 388786
4-Methoxy-1,4-diphenylbutan-2-one
CID 24881475
2-Methoxy-1,7-diphenylheptan-4-one
CID 24881476
5-Methoxy-1,6-diphenylhexan-3-one
CID 24881815
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816
Cyclohexanone, 2-(methoxyphenylmethyl)-
CID 10856950

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 134922771) is (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is O=C1C(c2ccccc2)[C@@H]2C=C[C@@H](O2)C1c1ccccc1.
What is the InChIKey of (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is ORSZODHOCRAUJY-OQSMONGASA-N. The full InChI is InChI=1S/C19H16O2/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/h1-12,15-18H/t15-,16+,17?,18?.
What are the key properties of (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 276.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2,4-diphenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 134922771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).