2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone

C14H19NO4 — CID 720388

IUPAC2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone
SMILESCOc1ccc(CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-4-3-11(9-13(12)18-2)10-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHAHWQJZCEHYMEU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.11
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone

2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone (PubChem CID 720388) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone
PubChem CID720388
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone
SMILESCOc1ccc(CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-12-4-3-11(9-13(12)18-2)10-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHAHWQJZCEHYMEU-UHFFFAOYSA-N
XLogP1.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone (CID 720388) is 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone is COc1ccc(CC(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone?
The InChIKey is HAHWQJZCEHYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-4-3-11(9-13(12)18-2)10-14(16)15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone?
2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone has a molecular weight of 265.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 720388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).