(5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone

C12H14BrNO3 — CID 51293147

IUPAC(5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2O)CCO1
InChIInChI=1S/C12H14BrNO3/c1-8-7-14(4-5-17-8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeySMDABYSRJYBFGA-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.02
Rot. Bonds1

About (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone

(5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 51293147) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID51293147
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Br)ccc2O)CCO1
InChIInChI=1S/C12H14BrNO3/c1-8-7-14(4-5-17-8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeySMDABYSRJYBFGA-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.02
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-methylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone (CID 51293147) is (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Br)ccc2O)CCO1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is SMDABYSRJYBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8-7-14(4-5-17-8)12(16)10-6-9(13)2-3-11(10)15/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone?
(5-bromo-2-hydroxyphenyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 300.15 g/mol, XLogP of 2.02, 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-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 51293147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).