4-[3-(3-iodophenoxy)propyl]morpholine

C13H18INO2 — CID 47520354

IUPAC4-[3-(3-iodophenoxy)propyl]morpholine
SMILESIc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C13H18INO2/c14-12-3-1-4-13(11-12)17-8-2-5-15-6-9-16-10-7-15/h1,3-4,11H,2,5-10H2
InChIKeyHXGYOOLASRZKKI-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.39
Rot. Bonds5

About 4-[3-(3-iodophenoxy)propyl]morpholine

4-[3-(3-iodophenoxy)propyl]morpholine (PubChem CID 47520354) has the molecular formula C13H18INO2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-[3-(3-iodophenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-iodophenoxy)propyl]morpholine
PubChem CID47520354
Molecular FormulaC13H18INO2
Molecular Weight347.20 g/mol
Exact Mass347.04
IUPAC Name4-[3-(3-iodophenoxy)propyl]morpholine
SMILESIc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C13H18INO2/c14-12-3-1-4-13(11-12)17-8-2-5-15-6-9-16-10-7-15/h1,3-4,11H,2,5-10H2
InChIKeyHXGYOOLASRZKKI-UHFFFAOYSA-N
XLogP2.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
(3,4-diaminophenyl)-[3-(4-morpholin-4-ylbutoxy)phenyl]methanone
CID 21451803
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[2-[3-(2-methylbutan-2-yl)phenoxy]ethyl]morpholine
CID 70920966
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316
4-[2-[2-(3-tert-butylphenoxy)ethoxy]ethyl]morpholine;hydrochloride
CID 2995859
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-iodophenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(3-iodophenoxy)propyl]morpholine (CID 47520354) is 4-[3-(3-iodophenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-iodophenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(3-iodophenoxy)propyl]morpholine is Ic1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-iodophenoxy)propyl]morpholine?
The InChIKey is HXGYOOLASRZKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2/c14-12-3-1-4-13(11-12)17-8-2-5-15-6-9-16-10-7-15/h1,3-4,11H,2,5-10H2.
What are the key properties of 4-[3-(3-iodophenoxy)propyl]morpholine?
4-[3-(3-iodophenoxy)propyl]morpholine has a molecular weight of 347.20 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-iodophenoxy)propyl]morpholine is sourced from PubChem (CID 47520354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).