4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one

C12H14BrNO2 — CID 66816624

IUPAC4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
SMILESCc1cc(N2CCOCC2=O)cc(C)c1Br
InChIInChI=1S/C12H14BrNO2/c1-8-5-10(6-9(2)12(8)13)14-3-4-16-7-11(14)15/h5-6H,3-4,7H2,1-2H3
InChIKeyNAUOXGBBFPNDIU-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.43
Rot. Bonds1

About 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one

4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one (PubChem CID 66816624) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
PubChem CID66816624
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
SMILESCc1cc(N2CCOCC2=O)cc(C)c1Br
InChIInChI=1S/C12H14BrNO2/c1-8-5-10(6-9(2)12(8)13)14-3-4-16-7-11(14)15/h5-6H,3-4,7H2,1-2H3
InChIKeyNAUOXGBBFPNDIU-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one (CID 66816624) is 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one is Cc1cc(N2CCOCC2=O)cc(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one?
The InChIKey is NAUOXGBBFPNDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-8-5-10(6-9(2)12(8)13)14-3-4-16-7-11(14)15/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one?
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one has a molecular weight of 284.15 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one is sourced from PubChem (CID 66816624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).