1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone

C15H21NO3 — CID 43788364

IUPAC1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN2CC(C)OCC2C)c1
InChIInChI=1S/C15H21NO3/c1-10-9-19-11(2)7-16(10)8-14-6-13(12(3)17)4-5-15(14)18/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyOJJKVDSDEZDKHQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.20
Rot. Bonds3

About 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone

1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone (PubChem CID 43788364) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone
PubChem CID43788364
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN2CC(C)OCC2C)c1
InChIInChI=1S/C15H21NO3/c1-10-9-19-11(2)7-16(10)8-14-6-13(12(3)17)4-5-15(14)18/h4-6,10-11,18H,7-9H2,1-3H3
InChIKeyOJJKVDSDEZDKHQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
CID 82977068
2-(2,5-dimethylmorpholin-4-yl)-1-(4-hydroxyphenyl)ethanone
CID 43796516
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-hydroxyphenyl]ethanone
CID 62206782
2,5-dimethyl-4-[(2-methylphenyl)methyl]morpholine
CID 75808664
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-4-methoxyphenol
CID 82974433
1-[3-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 51077725
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
CID 134007278
1-[4-hydroxy-3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 62469020
1-[3-[(2,5-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 64980172
3-chloro-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoic acid
CID 102669918
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972
1-[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-5-fluoro-2-hydroxyphenyl]ethanone
CID 61424395

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone (CID 43788364) is 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone is CC(=O)c1ccc(O)c(CN2CC(C)OCC2C)c1.
What is the InChIKey of 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone?
The InChIKey is OJJKVDSDEZDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-9-19-11(2)7-16(10)8-14-6-13(12(3)17)4-5-15(14)18/h4-6,10-11,18H,7-9H2,1-3H3.
What are the key properties of 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone?
1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dimethylmorpholin-4-yl)methyl]-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 43788364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).