2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one

C13H16INO3 — CID 21101274

IUPAC2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1cccc(I)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16INO3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeyVYFRMAPYCYXOQZ-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one

2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 21101274) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID21101274
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1cccc(I)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16INO3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeyVYFRMAPYCYXOQZ-UHFFFAOYSA-N
XLogP1.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
2-(3-hydroxy-2-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 43143211
1-morpholin-4-yl-2-[4-[2-(4-phenylphenoxy)propanoyl]piperazin-1-yl]ethane-1,2-dione
CID 55607691
(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 94811457
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one (CID 21101274) is 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one is CC(Oc1cccc(I)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is VYFRMAPYCYXOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-10(13(16)15-5-7-17-8-6-15)18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one?
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 361.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 21101274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).