1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one

C15H21NO4 — CID 90437692

IUPAC1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOCC1COc1cccc(O)c1C
InChIInChI=1S/C15H21NO4/c1-3-15(18)16-7-8-19-9-12(16)10-20-14-6-4-5-13(17)11(14)2/h4-6,12,17H,3,7-10H2,1-2H3
InChIKeyWUQVURHLTOYJBT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds4

About 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one

1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one (PubChem CID 90437692) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one
PubChem CID90437692
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCOCC1COc1cccc(O)c1C
InChIInChI=1S/C15H21NO4/c1-3-15(18)16-7-8-19-9-12(16)10-20-14-6-4-5-13(17)11(14)2/h4-6,12,17H,3,7-10H2,1-2H3
InChIKeyWUQVURHLTOYJBT-UHFFFAOYSA-N
XLogP1.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one (CID 90437692) is 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCOCC1COc1cccc(O)c1C.
What is the InChIKey of 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one?
The InChIKey is WUQVURHLTOYJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-15(18)16-7-8-19-9-12(16)10-20-14-6-4-5-13(17)11(14)2/h4-6,12,17H,3,7-10H2,1-2H3.
What are the key properties of 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one?
1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-hydroxy-2-methylphenoxy)methyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 90437692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).