2-(4-morpholin-4-ylphenyl)-1-phenylethanone

C18H19NO2 — CID 22052973

IUPAC2-(4-morpholin-4-ylphenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)19-10-12-21-13-11-19/h1-9H,10-14H2
InChIKeyCVUANRYIBJFPSD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.95
Rot. Bonds4

About 2-(4-morpholin-4-ylphenyl)-1-phenylethanone

2-(4-morpholin-4-ylphenyl)-1-phenylethanone (PubChem CID 22052973) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1-phenylethanone
PubChem CID22052973
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-morpholin-4-ylphenyl)-1-phenylethanone
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)19-10-12-21-13-11-19/h1-9H,10-14H2
InChIKeyCVUANRYIBJFPSD-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147593582
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518
1-(4-morpholin-4-ylphenyl)-2-[4-[4-[2-oxo-2-(1H-pyrazol-4-yl)ethyl]benzoyl]phenyl]ethanone
CID 149018348
2-[4-hydroxy-1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119934
4-(4-benzylphenyl)morpholine
CID 11514364
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1-phenylethanone?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1-phenylethanone (CID 22052973) is 2-(4-morpholin-4-ylphenyl)-1-phenylethanone.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1-phenylethanone?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1-phenylethanone is O=C(Cc1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1-phenylethanone?
The InChIKey is CVUANRYIBJFPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(16-4-2-1-3-5-16)14-15-6-8-17(9-7-15)19-10-12-21-13-11-19/h1-9H,10-14H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1-phenylethanone?
2-(4-morpholin-4-ylphenyl)-1-phenylethanone has a molecular weight of 281.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1-phenylethanone is sourced from PubChem (CID 22052973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).