2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone

C16H22BrNO3 — CID 2202684

IUPAC2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO3/c1-16(2,3)12-4-5-14(13(17)10-12)21-11-15(19)18-6-8-20-9-7-18/h4-5,10H,6-9,11H2,1-3H3
InChIKeyPSOKZHBCMKLKHE-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone

2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 2202684) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
PubChem CID2202684
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCOCC2)c(Br)c1
InChIInChI=1S/C16H22BrNO3/c1-16(2,3)12-4-5-14(13(17)10-12)21-11-15(19)18-6-8-20-9-7-18/h4-5,10H,6-9,11H2,1-3H3
InChIKeyPSOKZHBCMKLKHE-UHFFFAOYSA-N
XLogP2.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-bromo-4-[(4-tert-butylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126375425
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-(4-tert-butyl-2-nitrophenoxy)-1-morpholin-4-ylethanone
CID 57292963
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-(2-bromo-4-tert-butylphenoxy)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2203457
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
N-[(Z)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126383669

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone (CID 2202684) is 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone is CC(C)(C)c1ccc(OCC(=O)N2CCOCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is PSOKZHBCMKLKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-16(2,3)12-4-5-14(13(17)10-12)21-11-15(19)18-6-8-20-9-7-18/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone?
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 356.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 2202684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).