8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one

C24H27NO4 — CID 12786301

IUPAC8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)cc3)CC(O1)C2N1CCOCC1
InChIInChI=1S/C24H27NO4/c26-23-14-20-21(15-22(29-23)24(20)25-10-12-27-13-11-25)28-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20-22,24H,10-16H2
InChIKeyIRQZLWJZJPQCBJ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.28
Rot. Bonds5

About 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one

8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one (PubChem CID 12786301) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
PubChem CID12786301
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2C(OCc3ccc(-c4ccccc4)cc3)CC(O1)C2N1CCOCC1
InChIInChI=1S/C24H27NO4/c26-23-14-20-21(15-22(29-23)24(20)25-10-12-27-13-11-25)28-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20-22,24H,10-16H2
InChIKeyIRQZLWJZJPQCBJ-UHFFFAOYSA-N
XLogP3.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one (CID 12786301) is 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one is O=C1CC2C(OCc3ccc(-c4ccccc4)cc3)CC(O1)C2N1CCOCC1.
What is the InChIKey of 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is IRQZLWJZJPQCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c26-23-14-20-21(15-22(29-23)24(20)25-10-12-27-13-11-25)28-16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20-22,24H,10-16H2.
What are the key properties of 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one?
8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 393.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-6-[(4-phenylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 12786301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).