2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride

C10H12ClI2NO2 — CID 171193472

IUPAC2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
SMILESCl.Oc1c(I)cc(I)cc1[C@H]1COCCN1
InChIInChI=1S/C10H11I2NO2.ClH/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9;/h3-4,9,13-14H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyWSRUVFVYCKYPLX-SBSPUUFOSA-N
MW467.47 g/mol
LogP2.68
Rot. Bonds1

About 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride

2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride (PubChem CID 171193472) has the molecular formula C10H12ClI2NO2 and a molecular weight of 467.47 g/mol. Its IUPAC name is 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
PubChem CID171193472
Molecular FormulaC10H12ClI2NO2
Molecular Weight467.47 g/mol
Exact Mass466.86
IUPAC Name2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
SMILESCl.Oc1c(I)cc(I)cc1[C@H]1COCCN1
InChIInChI=1S/C10H11I2NO2.ClH/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9;/h3-4,9,13-14H,1-2,5H2;1H/t9-;/m1./s1
InChIKeyWSRUVFVYCKYPLX-SBSPUUFOSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
CID 131483817
2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192443
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184780
2,4-ditert-butyl-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192551
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
4-fluoro-2-methyl-6-[(3R)-morpholin-3-yl]phenol
CID 131254251
4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
CID 131514862
2-morpholin-3-ylphenol
CID 55294349
4,5-difluoro-2-morpholin-3-ylphenol
CID 84783766
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
2-[(3S)-morpholin-3-yl]benzene-1,3,5-triol;hydrochloride
CID 171193502

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
The IUPAC name of 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride (CID 171193472) is 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
The canonical SMILES for 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride is Cl.Oc1c(I)cc(I)cc1[C@H]1COCCN1.
What is the InChIKey of 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
The InChIKey is WSRUVFVYCKYPLX-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11I2NO2.ClH/c11-6-3-7(10(14)8(12)4-6)9-5-15-2-1-13-9;/h3-4,9,13-14H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride?
2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride has a molecular weight of 467.47 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 171193472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).