3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one

C13H15NO3 — CID 170859265

IUPAC3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one
SMILESCN(C)CCC(=O)c1cc2cc(O)ccc2o1
InChIInChI=1S/C13H15NO3/c1-14(2)6-5-11(16)13-8-9-7-10(15)3-4-12(9)17-13/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyIUXVOQLHCSDTKF-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.27
Rot. Bonds4

About 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one

3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one (PubChem CID 170859265) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one
PubChem CID170859265
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one
SMILESCN(C)CCC(=O)c1cc2cc(O)ccc2o1
InChIInChI=1S/C13H15NO3/c1-14(2)6-5-11(16)13-8-9-7-10(15)3-4-12(9)17-13/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyIUXVOQLHCSDTKF-UHFFFAOYSA-N
XLogP2.27
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-one
CID 170859266
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
5-amino-1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114737355
3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propan-1-one
CID 105131900
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
ethyl 5-hydroxy-1-benzofuran-2-carboxylate;ethyl 5-methyl-1-benzofuran-2-carboxylate;methane;tribromoborane
CID 158156070
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one (CID 170859265) is 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one is CN(C)CCC(=O)c1cc2cc(O)ccc2o1.
What is the InChIKey of 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one?
The InChIKey is IUXVOQLHCSDTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(2)6-5-11(16)13-8-9-7-10(15)3-4-12(9)17-13/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one?
3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one has a molecular weight of 233.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(5-hydroxy-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 170859265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).