2-bromo-4-morpholin-2-ylphenol

C10H12BrNO2 — CID 82623546

IUPAC2-bromo-4-morpholin-2-ylphenol
SMILESOc1ccc(C2CNCCO2)cc1Br
InChIInChI=1S/C10H12BrNO2/c11-8-5-7(1-2-9(8)13)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2
InChIKeyTWXVSVZMQHAMRG-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.82
Rot. Bonds1

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

2-bromo-4-morpholin-2-ylphenol (PubChem CID 82623546) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-bromo-4-morpholin-2-ylphenol.

Molecular Properties

Compound Name2-bromo-4-morpholin-2-ylphenol
PubChem CID82623546
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-bromo-4-morpholin-2-ylphenol
SMILESOc1ccc(C2CNCCO2)cc1Br
InChIInChI=1S/C10H12BrNO2/c11-8-5-7(1-2-9(8)13)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2
InChIKeyTWXVSVZMQHAMRG-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-morpholin-2-ylphenol?
The IUPAC name of 2-bromo-4-morpholin-2-ylphenol (CID 82623546) is 2-bromo-4-morpholin-2-ylphenol.
What is the SMILES notation for 2-bromo-4-morpholin-2-ylphenol?
The canonical SMILES for 2-bromo-4-morpholin-2-ylphenol is Oc1ccc(C2CNCCO2)cc1Br.
What is the InChIKey of 2-bromo-4-morpholin-2-ylphenol?
The InChIKey is TWXVSVZMQHAMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-5-7(1-2-9(8)13)10-6-12-3-4-14-10/h1-2,5,10,12-13H,3-4,6H2.
What are the key properties of 2-bromo-4-morpholin-2-ylphenol?
2-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 2-bromo-4-morpholin-2-ylphenol is sourced from PubChem (CID 82623546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).