4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one

C12H14BrNO3 — CID 165482080

IUPAC4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
SMILESCOc1cc(Br)cc(C)c1N1CCOCC1=O
InChIInChI=1S/C12H14BrNO3/c1-8-5-9(13)6-10(16-2)12(8)14-3-4-17-7-11(14)15/h5-6H,3-4,7H2,1-2H3
InChIKeyNAOOQTBYAUEGER-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.13
Rot. Bonds2

About 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one

4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one (PubChem CID 165482080) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
PubChem CID165482080
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
SMILESCOc1cc(Br)cc(C)c1N1CCOCC1=O
InChIInChI=1S/C12H14BrNO3/c1-8-5-9(13)6-10(16-2)12(8)14-3-4-17-7-11(14)15/h5-6H,3-4,7H2,1-2H3
InChIKeyNAOOQTBYAUEGER-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
4-(2-methoxy-4-methylphenyl)morpholin-3-one
CID 165482194
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
CID 177238856
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
4-(6-methoxy-2-methyl-1,3-dihydroisoindol-5-yl)morpholin-3-one
CID 177238780
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
CID 156807251
4-(2,3-dimethyl-6-nitrophenyl)morpholin-3-one
CID 165482127
4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one
CID 90078115
4-(2-methoxy-6-methyl-4-nitrosophenyl)morpholine
CID 167231482

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one?
The IUPAC name of 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one (CID 165482080) is 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one?
The canonical SMILES for 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one is COc1cc(Br)cc(C)c1N1CCOCC1=O.
What is the InChIKey of 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one?
The InChIKey is NAOOQTBYAUEGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8-5-9(13)6-10(16-2)12(8)14-3-4-17-7-11(14)15/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one?
4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one has a molecular weight of 300.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one is sourced from PubChem (CID 165482080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).