4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one

C14H15NO4 — CID 79468551

IUPAC4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
SMILESO=C1COCCN1CC(O)c1cc2ccccc2o1
InChIInChI=1S/C14H15NO4/c16-11(8-15-5-6-18-9-14(15)17)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11,16H,5-6,8-9H2
InChIKeySUFPQLZAOAZZSL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.33
Rot. Bonds3

About 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one

4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one (PubChem CID 79468551) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
PubChem CID79468551
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one
SMILESO=C1COCCN1CC(O)c1cc2ccccc2o1
InChIInChI=1S/C14H15NO4/c16-11(8-15-5-6-18-9-14(15)17)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11,16H,5-6,8-9H2
InChIKeySUFPQLZAOAZZSL-UHFFFAOYSA-N
XLogP1.33
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179188
4-(3-amino-2-phenylpropyl)morpholin-3-one
CID 79468237
(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
CID 154795462
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172618
1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
CID 62123428
3-(3-oxomorpholin-4-yl)-2-phenylpropanethioamide
CID 79468813
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
1-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 63024740
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one?
The IUPAC name of 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one (CID 79468551) is 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one?
The canonical SMILES for 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one is O=C1COCCN1CC(O)c1cc2ccccc2o1.
What is the InChIKey of 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one?
The InChIKey is SUFPQLZAOAZZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11(8-15-5-6-18-9-14(15)17)13-7-10-3-1-2-4-12(10)19-13/h1-4,7,11,16H,5-6,8-9H2.
What are the key properties of 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one?
4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one has a molecular weight of 261.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]morpholin-3-one is sourced from PubChem (CID 79468551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).