(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

C13H16BrNO3 — CID 103627209

IUPAC(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO3/c1-13(2)8-18-6-5-15(13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyBRNACBMDMLAFGX-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.41
Rot. Bonds1

About (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 103627209) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID103627209
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO3/c1-13(2)8-18-6-5-15(13)12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyBRNACBMDMLAFGX-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

(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 114371991
(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61430706
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 62174330
4-bromo-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61428540
5-bromo-2-(3,3-dimethylmorpholin-4-yl)benzoic acid
CID 114895703
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
4-bromo-2-[(3,3-dimethylmorpholin-4-yl)methyl]phenol
CID 82986046
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
(2-chloro-5-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61225860

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 103627209) is (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)c1cc(Br)ccc1O.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is BRNACBMDMLAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-13(2)8-18-6-5-15(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)-(3,3-dimethylmorpholin-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(3,3-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)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103627209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).