2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone

C14H18BrNO4 — CID 1204143

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone
SMILESCOc1cc(Br)c(CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C14H18BrNO4/c1-18-12-7-10(11(15)9-13(12)19-2)8-14(17)16-3-5-20-6-4-16/h7,9H,3-6,8H2,1-2H3
InChIKeyYCMPJGDAMJYXBC-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone

2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone (PubChem CID 1204143) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone
PubChem CID1204143
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone
SMILESCOc1cc(Br)c(CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C14H18BrNO4/c1-18-12-7-10(11(15)9-13(12)19-2)8-14(17)16-3-5-20-6-4-16/h7,9H,3-6,8H2,1-2H3
InChIKeyYCMPJGDAMJYXBC-UHFFFAOYSA-N
XLogP1.87
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone (CID 1204143) is 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone is COc1cc(Br)c(CC(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone?
The InChIKey is YCMPJGDAMJYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-18-12-7-10(11(15)9-13(12)19-2)8-14(17)16-3-5-20-6-4-16/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone?
2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone has a molecular weight of 344.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 1204143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).