2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone

C14H19NO3 — CID 81204859

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone
SMILESCC1COC(CO)CN1CC(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-10-18-13(9-16)7-15(11)8-14(17)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChIKeyNYDRSPRCPRDVCN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone (PubChem CID 81204859) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone
PubChem CID81204859
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone
SMILESCC1COC(CO)CN1CC(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-10-18-13(9-16)7-15(11)8-14(17)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChIKeyNYDRSPRCPRDVCN-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)-5-methylmorpholin-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone (CID 81204859) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone is CC1COC(CO)CN1CC(=O)c1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone?
The InChIKey is NYDRSPRCPRDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-10-18-13(9-16)7-15(11)8-14(17)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-phenylethanone 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)-5-methylmorpholin-4-yl]-1-phenylethanone is sourced from PubChem (CID 81204859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).