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

C13H16BrNO3 — CID 86981386

IUPAC(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2O)CCO1
InChIInChI=1S/C13H16BrNO3/c1-13(2)8-15(5-6-18-13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyCBNGDZJWDZQJER-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.41
Rot. Bonds1

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

(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 86981386) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID86981386
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)ccc2O)CCO1
InChIInChI=1S/C13H16BrNO3/c1-13(2)8-15(5-6-18-13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyCBNGDZJWDZQJER-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(3-amino-5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107872264
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone;hydrochloride
CID 120806998
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(3-chloro-4-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430913
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103627209
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 86981386) is (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(Br)ccc2O)CCO1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is CBNGDZJWDZQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-13(2)8-15(5-6-18-13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 2.41, 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)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 86981386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).