(2-bromophenyl)-morpholin-4-ylmethanone

C11H12BrNO2 — CID 532184

IUPAC(2-bromophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKeyQPQCGIYRAMNHKH-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.92
Rot. Bonds1

About (2-bromophenyl)-morpholin-4-ylmethanone

(2-bromophenyl)-morpholin-4-ylmethanone (PubChem CID 532184) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (2-bromophenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-bromophenyl)-morpholin-4-ylmethanone
PubChem CID532184
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(2-bromophenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKeyQPQCGIYRAMNHKH-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-bromophenyl)-morpholin-4-ylmethanone (CID 532184) is (2-bromophenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-bromophenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-bromophenyl)-morpholin-4-ylmethanone is O=C(c1ccccc1Br)N1CCOCC1.
What is the InChIKey of (2-bromophenyl)-morpholin-4-ylmethanone?
The InChIKey is QPQCGIYRAMNHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2.
What are the key properties of (2-bromophenyl)-morpholin-4-ylmethanone?
(2-bromophenyl)-morpholin-4-ylmethanone has a molecular weight of 270.13 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 532184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).