2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone

C14H19NO3 — CID 43796516

IUPAC2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(O)cc2)C(C)CO1
InChIInChI=1S/C14H19NO3/c1-10-9-18-11(2)7-15(10)8-14(17)12-3-5-13(16)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyWERURPIAFCBNFD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.68
Rot. Bonds3

About 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone

2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone (PubChem CID 43796516) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
PubChem CID43796516
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
SMILESCC1CN(CC(=O)c2ccc(O)cc2)C(C)CO1
InChIInChI=1S/C14H19NO3/c1-10-9-18-11(2)7-15(10)8-14(17)12-3-5-13(16)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyWERURPIAFCBNFD-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone (CID 43796516) is 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone is CC1CN(CC(=O)c2ccc(O)cc2)C(C)CO1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone?
The InChIKey is WERURPIAFCBNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-18-11(2)7-15(10)8-14(17)12-3-5-13(16)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone?
2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 43796516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).