2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one

C16H23NO3 — CID 118041363

IUPAC2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccccc1OCCN1CCOCC1
InChIInChI=1S/C16H23NO3/c1-13(2)16(18)14-5-3-4-6-15(14)20-12-9-17-7-10-19-11-8-17/h3-6,13H,7-12H2,1-2H3
InChIKeyYHAKHURQWBYXBW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one

2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one (PubChem CID 118041363) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
PubChem CID118041363
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
SMILESCC(C)C(=O)c1ccccc1OCCN1CCOCC1
InChIInChI=1S/C16H23NO3/c1-13(2)16(18)14-5-3-4-6-15(14)20-12-9-17-7-10-19-11-8-17/h3-6,13H,7-12H2,1-2H3
InChIKeyYHAKHURQWBYXBW-UHFFFAOYSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
1-[2-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]propan-1-one
CID 2995994
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzenecarbothioamide
CID 55153706
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
3-[2-[3-[2-(3-carboxy-2-hydroxyphenoxy)ethyl]-1,6-dioxa-3,9-diazacycloundec-9-yl]ethoxy]-2-hydroxybenzoic acid
CID 101400473
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one (CID 118041363) is 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one is CC(C)C(=O)c1ccccc1OCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one?
The InChIKey is YHAKHURQWBYXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(2)16(18)14-5-3-4-6-15(14)20-12-9-17-7-10-19-11-8-17/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one?
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one is sourced from PubChem (CID 118041363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).