1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one

C20H22FNO3 — CID 110326763

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO3/c21-17-10-8-16(9-11-17)19-15-22(12-14-25-19)20(23)7-4-13-24-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-15H2
InChIKeyZRRDVNVTAJSOLZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.58
Rot. Bonds6

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one

1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one (PubChem CID 110326763) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
PubChem CID110326763
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO3/c21-17-10-8-16(9-11-17)19-15-22(12-14-25-19)20(23)7-4-13-24-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-15H2
InChIKeyZRRDVNVTAJSOLZ-UHFFFAOYSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018
1-[4-(4-fluorophenyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 44765669
4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
CID 110746632
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432774
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 94432773
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 95486481
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one (CID 110326763) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
The InChIKey is ZRRDVNVTAJSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-10-8-16(9-11-17)19-15-22(12-14-25-19)20(23)7-4-13-24-18-5-2-1-3-6-18/h1-3,5-6,8-11,19H,4,7,12-15H2.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one?
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one has a molecular weight of 343.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 110326763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).