6-morpholin-4-yl-1,1-diphenylhexan-3-one

C22H27NO2 — CID 159280130

IUPAC6-morpholin-4-yl-1,1-diphenylhexan-3-one
SMILESO=C(CCCN1CCOCC1)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c24-21(12-7-13-23-14-16-25-17-15-23)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,22H,7,12-18H2
InChIKeyKYUPQLLISJFVIU-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.89
Rot. Bonds8

About 6-morpholin-4-yl-1,1-diphenylhexan-3-one

6-morpholin-4-yl-1,1-diphenylhexan-3-one (PubChem CID 159280130) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 6-morpholin-4-yl-1,1-diphenylhexan-3-one.

Molecular Properties

Compound Name6-morpholin-4-yl-1,1-diphenylhexan-3-one
PubChem CID159280130
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name6-morpholin-4-yl-1,1-diphenylhexan-3-one
SMILESO=C(CCCN1CCOCC1)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c24-21(12-7-13-23-14-16-25-17-15-23)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,22H,7,12-18H2
InChIKeyKYUPQLLISJFVIU-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-1,1-diphenylhexan-3-one?
The IUPAC name of 6-morpholin-4-yl-1,1-diphenylhexan-3-one (CID 159280130) is 6-morpholin-4-yl-1,1-diphenylhexan-3-one.
What is the SMILES notation for 6-morpholin-4-yl-1,1-diphenylhexan-3-one?
The canonical SMILES for 6-morpholin-4-yl-1,1-diphenylhexan-3-one is O=C(CCCN1CCOCC1)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-morpholin-4-yl-1,1-diphenylhexan-3-one?
The InChIKey is KYUPQLLISJFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-21(12-7-13-23-14-16-25-17-15-23)18-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,22H,7,12-18H2.
What are the key properties of 6-morpholin-4-yl-1,1-diphenylhexan-3-one?
6-morpholin-4-yl-1,1-diphenylhexan-3-one has a molecular weight of 337.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-1,1-diphenylhexan-3-one is sourced from PubChem (CID 159280130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).