1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone

C15H21NO3 — CID 116919977

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
SMILESCOc1c(C)cc(C(=O)CC2CNCCO2)cc1C
InChIInChI=1S/C15H21NO3/c1-10-6-12(7-11(2)15(10)18-3)14(17)8-13-9-16-4-5-19-13/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeyLBAQHOPTVFFXGK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone

1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone (PubChem CID 116919977) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
PubChem CID116919977
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
SMILESCOc1c(C)cc(C(=O)CC2CNCCO2)cc1C
InChIInChI=1S/C15H21NO3/c1-10-6-12(7-11(2)15(10)18-3)14(17)8-13-9-16-4-5-19-13/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeyLBAQHOPTVFFXGK-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-morpholin-2-ylethanone
CID 116586217
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
1-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116586161
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
4-methoxy-N,3,5-trimethyl-N-(morpholin-2-ylmethyl)aniline
CID 115237588
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119679107
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-2-ylethanone
CID 116586378
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
2-morpholin-2-yl-1-(1-propylpyrazol-4-yl)ethanone
CID 116586145

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone (CID 116919977) is 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone is COc1c(C)cc(C(=O)CC2CNCCO2)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone?
The InChIKey is LBAQHOPTVFFXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-12(7-11(2)15(10)18-3)14(17)8-13-9-16-4-5-19-13/h6-7,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone?
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone is sourced from PubChem (CID 116919977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).