4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one

C12H14BrNO4 — CID 156807251

IUPAC4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
SMILESCOCOc1ccc(N2CCOCC2=O)cc1Br
InChIInChI=1S/C12H14BrNO4/c1-16-8-18-11-3-2-9(6-10(11)13)14-4-5-17-7-12(14)15/h2-3,6H,4-5,7-8H2,1H3
InChIKeyWWTZJJQAVDVBFD-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.79
Rot. Bonds4

About 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one

4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one (PubChem CID 156807251) has the molecular formula C12H14BrNO4 and a molecular weight of 316.15 g/mol. Its IUPAC name is 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
PubChem CID156807251
Molecular FormulaC12H14BrNO4
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one
SMILESCOCOc1ccc(N2CCOCC2=O)cc1Br
InChIInChI=1S/C12H14BrNO4/c1-16-8-18-11-3-2-9(6-10(11)13)14-4-5-17-7-12(14)15/h2-3,6H,4-5,7-8H2,1H3
InChIKeyWWTZJJQAVDVBFD-UHFFFAOYSA-N
XLogP1.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxy-3-propan-2-yloxyphenyl)morpholin-3-one
CID 165481667
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(3,4,5-trimethoxyphenyl)morpholin-3-one
CID 165481703
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
4-(4-bromo-3,5-dimethylphenyl)morpholin-3-one
CID 66816624
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
4-(4-bromo-2-methoxy-6-methylphenyl)morpholin-3-one
CID 165482080
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one?
The IUPAC name of 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one (CID 156807251) is 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one?
The canonical SMILES for 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one is COCOc1ccc(N2CCOCC2=O)cc1Br.
What is the InChIKey of 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one?
The InChIKey is WWTZJJQAVDVBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO4/c1-16-8-18-11-3-2-9(6-10(11)13)14-4-5-17-7-12(14)15/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one?
4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one has a molecular weight of 316.15 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-4-(methoxymethoxy)phenyl]morpholin-3-one is sourced from PubChem (CID 156807251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).