2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone

C13H16BrNO4 — CID 169336855

IUPAC2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
SMILESCOc1cc(Br)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H16BrNO4/c1-17-12-8-10(14)2-3-11(12)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyBQZPNVVWBSMGSO-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone

2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone (PubChem CID 169336855) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
PubChem CID169336855
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
SMILESCOc1cc(Br)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H16BrNO4/c1-17-12-8-10(14)2-3-11(12)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyBQZPNVVWBSMGSO-UHFFFAOYSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
CID 60907715
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4906451
1-(diaminomethylidene)-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]guanidine
CID 168604379
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
2-(2-bromo-4-tert-butylphenoxy)-1-morpholin-4-ylethanone
CID 2202684
2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 168639306

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone (CID 169336855) is 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone is COc1cc(Br)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is BQZPNVVWBSMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-17-12-8-10(14)2-3-11(12)19-9-13(16)15-4-6-18-7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone?
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 330.18 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 169336855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).