2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one

C14H19NO3 — CID 76792666

IUPAC2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
SMILESO=C(C(O)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H19NO3/c16-13(7-6-12-4-2-1-3-5-12)14(17)15-8-10-18-11-9-15/h1-5,13,16H,6-11H2
InChIKeyJYBXYPDGVLCTFA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.84
Rot. Bonds4

About 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one

2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one (PubChem CID 76792666) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
PubChem CID76792666
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
SMILESO=C(C(O)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H19NO3/c16-13(7-6-12-4-2-1-3-5-12)14(17)15-8-10-18-11-9-15/h1-5,13,16H,6-11H2
InChIKeyJYBXYPDGVLCTFA-UHFFFAOYSA-N
XLogP0.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide
CID 173259120
(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 91162995
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
4-[(2R)-2-hydroxy-4-phenylbutanoyl]morpholine-3-carboxamide
CID 173197768
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
CID 69434740
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
2-(2-morpholin-4-yl-2-oxoethyl)sulfinyl-4-phenylbutanoic acid
CID 123101724
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one?
The IUPAC name of 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one (CID 76792666) is 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one is O=C(C(O)CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one?
The InChIKey is JYBXYPDGVLCTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(7-6-12-4-2-1-3-5-12)14(17)15-8-10-18-11-9-15/h1-5,13,16H,6-11H2.
What are the key properties of 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one?
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one is sourced from PubChem (CID 76792666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).