2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one

C14H19NO3 — CID 81204551

IUPAC2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCOC(CO)C1
InChIInChI=1S/C14H19NO3/c1-11(14(17)12-5-3-2-4-6-12)15-7-8-18-13(9-15)10-16/h2-6,11,13,16H,7-10H2,1H3
InChIKeyDKPUHVYKBHFZJT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one

2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one (PubChem CID 81204551) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one
PubChem CID81204551
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCOC(CO)C1
InChIInChI=1S/C14H19NO3/c1-11(14(17)12-5-3-2-4-6-12)15-7-8-18-13(9-15)10-16/h2-6,11,13,16H,7-10H2,1H3
InChIKeyDKPUHVYKBHFZJT-UHFFFAOYSA-N
XLogP0.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one?
The IUPAC name of 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one (CID 81204551) is 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N1CCOC(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one?
The InChIKey is DKPUHVYKBHFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(14(17)12-5-3-2-4-6-12)15-7-8-18-13(9-15)10-16/h2-6,11,13,16H,7-10H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one?
2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)morpholin-4-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 81204551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).