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

C14H19NO4 — CID 82050526

IUPAC1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
SMILESCOc1ccc(C(=O)CN2CCOCC2)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-17-11-3-4-12(14(9-11)18-2)13(16)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKLZFVXWPTLUZOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds5

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

1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone (PubChem CID 82050526) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
PubChem CID82050526
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
SMILESCOc1ccc(C(=O)CN2CCOCC2)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-17-11-3-4-12(14(9-11)18-2)13(16)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKLZFVXWPTLUZOZ-UHFFFAOYSA-N
XLogP1.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2996444
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
CID 43219459
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
1-(8-methoxyquinolin-5-yl)-2-morpholin-4-ylethanone
CID 93193171
2-tert-butylsulfanyl-1-(2,4-dimethoxyphenyl)ethanone
CID 60645739
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone (CID 82050526) is 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone is COc1ccc(C(=O)CN2CCOCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone?
The InChIKey is KLZFVXWPTLUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-11-3-4-12(14(9-11)18-2)13(16)10-15-5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone?
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone has a molecular weight of 265.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 82050526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).