3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one

C15H21NO3 — CID 81214433

IUPAC3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCOC(CO)C2)cc1
InChIInChI=1S/C15H21NO3/c1-12-2-4-13(5-3-12)15(18)6-7-16-8-9-19-14(10-16)11-17/h2-5,14,17H,6-11H2,1H3
InChIKeyXUGBWATUFUHALT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.26
Rot. Bonds5

About 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one

3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one (PubChem CID 81214433) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one
PubChem CID81214433
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCOC(CO)C2)cc1
InChIInChI=1S/C15H21NO3/c1-12-2-4-13(5-3-12)15(18)6-7-16-8-9-19-14(10-16)11-17/h2-5,14,17H,6-11H2,1H3
InChIKeyXUGBWATUFUHALT-UHFFFAOYSA-N
XLogP1.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
3-(2-benzylmorpholin-4-yl)-1-(4-chlorophenyl)propan-1-one
CID 155967429
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63635456
1-(4-bromophenyl)-3-[2-(4-bromophenyl)morpholin-4-yl]propan-1-one
CID 10766089
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one (CID 81214433) is 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN2CCOC(CO)C2)cc1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one?
The InChIKey is XUGBWATUFUHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-2-4-13(5-3-12)15(18)6-7-16-8-9-19-14(10-16)11-17/h2-5,14,17H,6-11H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one?
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 81214433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).