2-(2-bromophenoxy)-1-morpholin-4-ylethanone

C12H14BrNO3 — CID 725441

IUPAC2-(2-bromophenoxy)-1-morpholin-4-ylethanone
SMILESO=C(COc1ccccc1Br)N1CCOCC1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyROIJUFKXSZTTLC-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-bromophenoxy)-1-morpholin-4-ylethanone

2-(2-bromophenoxy)-1-morpholin-4-ylethanone (PubChem CID 725441) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-morpholin-4-ylethanone
PubChem CID725441
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-(2-bromophenoxy)-1-morpholin-4-ylethanone
SMILESO=C(COc1ccccc1Br)N1CCOCC1
InChIInChI=1S/C12H14BrNO3/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2
InChIKeyROIJUFKXSZTTLC-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-morpholin-4-ylethanone (CID 725441) is 2-(2-bromophenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-morpholin-4-ylethanone is O=C(COc1ccccc1Br)N1CCOCC1.
What is the InChIKey of 2-(2-bromophenoxy)-1-morpholin-4-ylethanone?
The InChIKey is ROIJUFKXSZTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-10-3-1-2-4-11(10)17-9-12(15)14-5-7-16-8-6-14/h1-4H,5-9H2.
What are the key properties of 2-(2-bromophenoxy)-1-morpholin-4-ylethanone?
2-(2-bromophenoxy)-1-morpholin-4-ylethanone has a molecular weight of 300.15 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 725441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).