3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol

C10H11BrClNO2 — CID 131447436

IUPAC3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
SMILESOc1c(Cl)ccc(Br)c1[C@H]1COCCN1
InChIInChI=1S/C10H11BrClNO2/c11-6-1-2-7(12)10(14)9(6)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m1/s1
InChIKeyDTAOUXPCOHVOMT-MRVPVSSYSA-N
MW292.56 g/mol
LogP2.47
Rot. Bonds1

About 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol

3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol (PubChem CID 131447436) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol.

Molecular Properties

Compound Name3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
PubChem CID131447436
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
SMILESOc1c(Cl)ccc(Br)c1[C@H]1COCCN1
InChIInChI=1S/C10H11BrClNO2/c11-6-1-2-7(12)10(14)9(6)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m1/s1
InChIKeyDTAOUXPCOHVOMT-MRVPVSSYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.47
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

3-bromo-6-methyl-2-morpholin-3-ylphenol
CID 84809565
2-[(2S)-azetidin-2-yl]-3-bromo-6-chlorophenol
CID 130912925
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(3S)-3-(3-bromo-4-chlorophenyl)morpholine
CID 130748628
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
2-chloro-4-morpholin-3-ylphenol
CID 82613251

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol?
The IUPAC name of 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol (CID 131447436) is 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol.
What is the SMILES notation for 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol?
The canonical SMILES for 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol is Oc1c(Cl)ccc(Br)c1[C@H]1COCCN1.
What is the InChIKey of 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol?
The InChIKey is DTAOUXPCOHVOMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c11-6-1-2-7(12)10(14)9(6)8-5-15-4-3-13-8/h1-2,8,13-14H,3-5H2/t8-/m1/s1.
What are the key properties of 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol?
3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol has a molecular weight of 292.56 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol is sourced from PubChem (CID 131447436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).