3-bromo-4-morpholin-2-ylphenol

C10H12BrNO2 — CID 82623544

IUPAC3-bromo-4-morpholin-2-ylphenol
SMILESOc1ccc(C2CNCCO2)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c11-9-5-7(13)1-2-8(9)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2
InChIKeyCPDAFKZHJNXTTA-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.82
Rot. Bonds1

About 3-bromo-4-morpholin-2-ylphenol

3-bromo-4-morpholin-2-ylphenol (PubChem CID 82623544) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-bromo-4-morpholin-2-ylphenol.

Molecular Properties

Compound Name3-bromo-4-morpholin-2-ylphenol
PubChem CID82623544
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-bromo-4-morpholin-2-ylphenol
SMILESOc1ccc(C2CNCCO2)c(Br)c1
InChIInChI=1S/C10H12BrNO2/c11-9-5-7(13)1-2-8(9)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2
InChIKeyCPDAFKZHJNXTTA-UHFFFAOYSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-morpholin-2-ylphenol
CID 83732516
3-methyl-4-morpholin-2-ylphenol
CID 67032452
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
CID 117475166
6-bromo-3-morpholin-2-ylnaphthalen-2-ol
CID 117493024
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-morpholin-2-ylphenol?
The IUPAC name of 3-bromo-4-morpholin-2-ylphenol (CID 82623544) is 3-bromo-4-morpholin-2-ylphenol.
What is the SMILES notation for 3-bromo-4-morpholin-2-ylphenol?
The canonical SMILES for 3-bromo-4-morpholin-2-ylphenol is Oc1ccc(C2CNCCO2)c(Br)c1.
What is the InChIKey of 3-bromo-4-morpholin-2-ylphenol?
The InChIKey is CPDAFKZHJNXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-5-7(13)1-2-8(9)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2.
What are the key properties of 3-bromo-4-morpholin-2-ylphenol?
3-bromo-4-morpholin-2-ylphenol has a molecular weight of 258.11 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-morpholin-2-ylphenol is sourced from PubChem (CID 82623544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).