3-Hexanone, 4,4-diphenyl-6-morpholino-

C22H27NO2 — CID 44686

IUPAC6-morpholin-4-yl-4,4-diphenylhexan-3-one
SMILESCCC(=O)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C22H27NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3
InChIKeySXKOCXTXIUNMEN-UHFFFAOYSA-N
MW337.50 g/mol
LogP3.60
Rot. Bonds7

About 3-Hexanone, 4,4-diphenyl-6-morpholino-

3-Hexanone, 4,4-diphenyl-6-morpholino- (PubChem CID 44686) has the molecular formula C22H27NO2 and a molecular weight of 337.50 g/mol. Its IUPAC name is 6-morpholin-4-yl-4,4-diphenylhexan-3-one.

Molecular Properties

Compound Name3-Hexanone, 4,4-diphenyl-6-morpholino-
PubChem CID44686
Molecular FormulaC22H27NO2
Molecular Weight337.50 g/mol
Exact Mass337.20
IUPAC Name6-morpholin-4-yl-4,4-diphenylhexan-3-one
SMILESCCC(=O)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C22H27NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3
InChIKeySXKOCXTXIUNMEN-UHFFFAOYSA-N
XLogP3.60
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity386

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3156
Methadone
CID 4095
Methadone Hydrochloride
CID 14184
Normethadone
CID 10090
Levomethadone
CID 22267
Piperidolate
CID 4839
Dextromoramide
CID 92943
Doxapram Hydrochloride
CID 64648
(+)-Methadone
CID 643985
Isomethadone
CID 10072
Phenadoxone
CID 10089
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145

Frequently Asked Questions

What is the IUPAC name of 3-Hexanone, 4,4-diphenyl-6-morpholino-?
The IUPAC name of 3-Hexanone, 4,4-diphenyl-6-morpholino- (CID 44686) is 6-morpholin-4-yl-4,4-diphenylhexan-3-one.
What is the SMILES notation for 3-Hexanone, 4,4-diphenyl-6-morpholino-?
The canonical SMILES for 3-Hexanone, 4,4-diphenyl-6-morpholino- is CCC(=O)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3.
What is the InChIKey of 3-Hexanone, 4,4-diphenyl-6-morpholino-?
The InChIKey is SXKOCXTXIUNMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3.
What are the key properties of 3-Hexanone, 4,4-diphenyl-6-morpholino-?
3-Hexanone, 4,4-diphenyl-6-morpholino- has a molecular weight of 337.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Hexanone, 4,4-diphenyl-6-morpholino- is sourced from PubChem (CID 44686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).