1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one

C20H22ClNO2 — CID 110609478

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C20H22ClNO2/c1-15(16-5-3-2-4-6-16)13-20(23)22-11-12-24-19(14-22)17-7-9-18(21)10-8-17/h2-10,15,19H,11-14H2,1H3
InChIKeyAKEWYNTYICBIFI-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.43
Rot. Bonds4

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one

1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one (PubChem CID 110609478) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
PubChem CID110609478
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C20H22ClNO2/c1-15(16-5-3-2-4-6-16)13-20(23)22-11-12-24-19(14-22)17-7-9-18(21)10-8-17/h2-10,15,19H,11-14H2,1H3
InChIKeyAKEWYNTYICBIFI-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609357
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-phenylethanone
CID 119290568
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
3-(4-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]butan-1-one
CID 110619636
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562
3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one (CID 110609478) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
The InChIKey is AKEWYNTYICBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-15(16-5-3-2-4-6-16)13-20(23)22-11-12-24-19(14-22)17-7-9-18(21)10-8-17/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one?
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one has a molecular weight of 343.85 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 110609478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).