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

C16H23NO3 — CID 66821978

IUPAC1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-3-16(18)14-4-6-15(7-5-14)20-13-10-17-8-11-19-12-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeyDRZCASMQSSSXRY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.38
Rot. Bonds7

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

1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one (PubChem CID 66821978) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
PubChem CID66821978
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-3-16(18)14-4-6-15(7-5-14)20-13-10-17-8-11-19-12-9-17/h4-7H,2-3,8-13H2,1H3
InChIKeyDRZCASMQSSSXRY-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
N-[(Z)-1-[4-(2-morpholin-4-ylethoxy)phenyl]propylideneamino]benzamide
CID 5455254
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
CID 123489921
ethyl 4-[3-oxo-3-(4-propoxyphenyl)propyl]piperazine-1-carboxylate chloride
CID 53350564
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one?
The IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one (CID 66821978) is 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one is CCCC(=O)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one?
The InChIKey is DRZCASMQSSSXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-16(18)14-4-6-15(7-5-14)20-13-10-17-8-11-19-12-9-17/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one?
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one is sourced from PubChem (CID 66821978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).