4-bromo-3-morpholin-2-ylphenol

C10H12BrNO2 — CID 83732516

IUPAC4-bromo-3-morpholin-2-ylphenol
SMILESOc1ccc(Br)c(C2CNCCO2)c1
InChIInChI=1S/C10H12BrNO2/c11-9-2-1-7(13)5-8(9)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2
InChIKeyXUIUGZWYHMGSMB-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.82
Rot. Bonds1

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

4-bromo-3-morpholin-2-ylphenol (PubChem CID 83732516) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-bromo-3-morpholin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-3-morpholin-2-ylphenol
PubChem CID83732516
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-bromo-3-morpholin-2-ylphenol
SMILESOc1ccc(Br)c(C2CNCCO2)c1
InChIInChI=1S/C10H12BrNO2/c11-9-2-1-7(13)5-8(9)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2
InChIKeyXUIUGZWYHMGSMB-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

Analyze 4-bromo-3-morpholin-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-morpholin-2-ylphenol?
The IUPAC name of 4-bromo-3-morpholin-2-ylphenol (CID 83732516) is 4-bromo-3-morpholin-2-ylphenol.
What is the SMILES notation for 4-bromo-3-morpholin-2-ylphenol?
The canonical SMILES for 4-bromo-3-morpholin-2-ylphenol is Oc1ccc(Br)c(C2CNCCO2)c1.
What is the InChIKey of 4-bromo-3-morpholin-2-ylphenol?
The InChIKey is XUIUGZWYHMGSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-2-1-7(13)5-8(9)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2.
What are the key properties of 4-bromo-3-morpholin-2-ylphenol?
4-bromo-3-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 4-bromo-3-morpholin-2-ylphenol is sourced from PubChem (CID 83732516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).