(5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C13H16BrNO3 — CID 17450984

IUPAC(5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2O)CC(C)O1
InChIInChI=1S/C13H16BrNO3/c1-8-6-15(7-9(2)18-8)13(17)11-5-10(14)3-4-12(11)16/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyQLWDYULVUGKLEK-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.40
Rot. Bonds1

About (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 17450984) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID17450984
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2O)CC(C)O1
InChIInChI=1S/C13H16BrNO3/c1-8-6-15(7-9(2)18-8)13(17)11-5-10(14)3-4-12(11)16/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyQLWDYULVUGKLEK-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 17450984) is (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Br)ccc2O)CC(C)O1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is QLWDYULVUGKLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-8-6-15(7-9(2)18-8)13(17)11-5-10(14)3-4-12(11)16/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 17450984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).