[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone

C13H16BrNO3 — CID 102937683

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(O)cc2)CC(CBr)O1
InChIInChI=1S/C13H16BrNO3/c1-9-7-15(8-12(6-14)18-9)13(17)10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8H2,1H3
InChIKeyVYJXSJVMGHQZDQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.02
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone (PubChem CID 102937683) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
PubChem CID102937683
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(O)cc2)CC(CBr)O1
InChIInChI=1S/C13H16BrNO3/c1-9-7-15(8-12(6-14)18-9)13(17)10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8H2,1H3
InChIKeyVYJXSJVMGHQZDQ-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 102937884
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 102937779
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
(4-bromo-2,6-difluorophenyl)-[2-(bromomethyl)-6-methylmorpholin-4-yl]methanone
CID 102937775
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(5-bromo-2-methylphenyl)methanone
CID 102937933
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone (CID 102937683) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone is CC1CN(C(=O)c2ccc(O)cc2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is VYJXSJVMGHQZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-9-7-15(8-12(6-14)18-9)13(17)10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 314.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 102937683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).