4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine

C22H22INO — CID 118332421

IUPAC4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESIc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H22INO/c23-22-8-4-1-5-18(22)16-19-15-17(20-6-2-3-7-21(19)20)9-10-24-11-13-25-14-12-24/h1-8,15-16H,9-14H2/b19-16+
InChIKeyBWESKOGRSCYKCL-KNTRCKAVSA-N
MW443.33 g/mol
LogP4.95
Rot. Bonds4

About 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine

4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine (PubChem CID 118332421) has the molecular formula C22H22INO and a molecular weight of 443.33 g/mol. Its IUPAC name is 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine
PubChem CID118332421
Molecular FormulaC22H22INO
Molecular Weight443.33 g/mol
Exact Mass443.07
IUPAC Name4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine
SMILESIc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H22INO/c23-22-8-4-1-5-18(22)16-19-15-17(20-6-2-3-7-21(19)20)9-10-24-11-13-25-14-12-24/h1-8,15-16H,9-14H2/b19-16+
InChIKeyBWESKOGRSCYKCL-KNTRCKAVSA-N
XLogP4.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
4-(2-Phenylethyl)morpholine
CID 411956
4-(2-{3-[1-Naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 9976253
4-(2-{3-[1-Naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10546947
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(Z)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10619854
4-(2-{2-Methyl-3-[1-naphthalen-1-yl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 10667559
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-(naphthalen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 72948233
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876
4-[2-[(3E)-3-[(2-methylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332422

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine (CID 118332421) is 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine is Ic1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine?
The InChIKey is BWESKOGRSCYKCL-KNTRCKAVSA-N. The full InChI is InChI=1S/C22H22INO/c23-22-8-4-1-5-18(22)16-19-15-17(20-6-2-3-7-21(19)20)9-10-24-11-13-25-14-12-24/h1-8,15-16H,9-14H2/b19-16+.
What are the key properties of 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine?
4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine has a molecular weight of 443.33 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine is sourced from PubChem (CID 118332421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).