3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C16H23NO4 — CID 81197579

IUPAC3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C16H23NO4/c1-2-20-15-6-4-3-5-13(15)7-8-16(19)17-9-10-21-14(11-17)12-18/h3-6,14,18H,2,7-12H2,1H3
InChIKeyOFUDYFKLYLLXSV-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.24
Rot. Bonds6

About 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81197579) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81197579
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1CCOC(CO)C1
InChIInChI=1S/C16H23NO4/c1-2-20-15-6-4-3-5-13(15)7-8-16(19)17-9-10-21-14(11-17)12-18/h3-6,14,18H,2,7-12H2,1H3
InChIKeyOFUDYFKLYLLXSV-UHFFFAOYSA-N
XLogP1.24
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
3-(2-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403578
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 81196263
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134060202
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
CID 121197452
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43421333
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 81209298
3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209418
3-(2-ethoxyphenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758962

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81197579) is 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is CCOc1ccccc1CCC(=O)N1CCOC(CO)C1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is OFUDYFKLYLLXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-20-15-6-4-3-5-13(15)7-8-16(19)17-9-10-21-14(11-17)12-18/h3-6,14,18H,2,7-12H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 293.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81197579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).