2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone

C14H19NO3 — CID 60700942

IUPAC2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
SMILESCOc1cc(CC(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C14H19NO3/c1-11-3-4-12(9-13(11)17-2)10-14(16)15-5-7-18-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDRXIKHVBWLQWOC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.40
Rot. Bonds3

About 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone

2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone (PubChem CID 60700942) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
PubChem CID60700942
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
SMILESCOc1cc(CC(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C14H19NO3/c1-11-3-4-12(9-13(11)17-2)10-14(16)15-5-7-18-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyDRXIKHVBWLQWOC-UHFFFAOYSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602
2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
CID 107655594
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 55660750
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 120815207
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 115775325
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone (CID 60700942) is 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone is COc1cc(CC(=O)N2CCOCC2)ccc1C.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone?
The InChIKey is DRXIKHVBWLQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-3-4-12(9-13(11)17-2)10-14(16)15-5-7-18-8-6-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone?
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone has a molecular weight of 249.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 60700942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).