2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride

C10H12Br2ClNO2 — CID 171192443

IUPAC2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
SMILESCl.Oc1c(Br)cc(Br)cc1[C@@H]1COCCN1
InChIInChI=1S/C10H11Br2NO2.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-;/m0./s1
InChIKeyFMSDKAHDVBGVOD-FVGYRXGTSA-N
MW373.47 g/mol
LogP3.00
Rot. Bonds1

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

2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride (PubChem CID 171192443) has the molecular formula C10H12Br2ClNO2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
PubChem CID171192443
Molecular FormulaC10H12Br2ClNO2
Molecular Weight373.47 g/mol
Exact Mass370.89
IUPAC Name2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride
SMILESCl.Oc1c(Br)cc(Br)cc1[C@@H]1COCCN1
InChIInChI=1S/C10H11Br2NO2.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-;/m0./s1
InChIKeyFMSDKAHDVBGVOD-FVGYRXGTSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
CID 131514862
4-bromo-2-[(3R)-morpholin-3-yl]-6-(trifluoromethyl)phenol
CID 171259729
2,4-diiodo-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193472
3-(3,5-dibromophenyl)morpholine
CID 126971173
3-(2-bromophenyl)morpholine;hydrochloride
CID 155487565
2,4-diiodo-6-[(3R)-morpholin-3-yl]phenol
CID 131483817
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
4-chloro-2-methyl-6-[(3S)-morpholin-3-yl]phenol;hydrochloride
CID 171193448
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The IUPAC name of 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride (CID 171192443) is 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The canonical SMILES for 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride is Cl.Oc1c(Br)cc(Br)cc1[C@@H]1COCCN1.
What is the InChIKey of 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
The InChIKey is FMSDKAHDVBGVOD-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11Br2NO2.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-;/m0./s1.
What are the key properties of 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride?
2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride has a molecular weight of 373.47 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(3R)-morpholin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 171192443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).