(3S)-3-(4-iodophenyl)morpholine

C10H12INO — CID 130690924

IUPAC(3S)-3-(4-iodophenyl)morpholine
SMILESIc1ccc([C@H]2COCCN2)cc1
InChIInChI=1S/C10H12INO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2/t10-/m1/s1
InChIKeyRWPVRACRJCNPSW-SNVBAGLBSA-N
MW289.12 g/mol
LogP1.95
Rot. Bonds1

About (3S)-3-(4-iodophenyl)morpholine

(3S)-3-(4-iodophenyl)morpholine (PubChem CID 130690924) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is (3S)-3-(4-iodophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-iodophenyl)morpholine
PubChem CID130690924
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name(3S)-3-(4-iodophenyl)morpholine
SMILESIc1ccc([C@H]2COCCN2)cc1
InChIInChI=1S/C10H12INO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2/t10-/m1/s1
InChIKeyRWPVRACRJCNPSW-SNVBAGLBSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
(3S)-3-(3-iodophenyl)morpholine;hydrochloride
CID 171193311
(3R)-3-(3-iodo-4-methylphenyl)morpholine
CID 131084695
4-morpholin-3-ylbenzoic acid
CID 83439810
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
CID 171192994
(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 95451553
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
3-thiophen-3-ylmorpholine
CID 54298164
3-[4-(2-methylpropoxy)phenyl]morpholine
CID 82291237

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-iodophenyl)morpholine?
The IUPAC name of (3S)-3-(4-iodophenyl)morpholine (CID 130690924) is (3S)-3-(4-iodophenyl)morpholine.
What is the SMILES notation for (3S)-3-(4-iodophenyl)morpholine?
The canonical SMILES for (3S)-3-(4-iodophenyl)morpholine is Ic1ccc([C@H]2COCCN2)cc1.
What is the InChIKey of (3S)-3-(4-iodophenyl)morpholine?
The InChIKey is RWPVRACRJCNPSW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12INO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2/t10-/m1/s1.
What are the key properties of (3S)-3-(4-iodophenyl)morpholine?
(3S)-3-(4-iodophenyl)morpholine has a molecular weight of 289.12 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-iodophenyl)morpholine is sourced from PubChem (CID 130690924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).