1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one

C15H20O3 — CID 103458617

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
SMILESCCC(CC)C(O)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20O3/c1-3-10(4-2)14(16)15(17)12-5-6-13-11(9-12)7-8-18-13/h5-6,9-10,14,16H,3-4,7-8H2,1-2H3
InChIKeyFJVWGDIRNQQPBW-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.60
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one (PubChem CID 103458617) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
PubChem CID103458617
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
SMILESCCC(CC)C(O)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20O3/c1-3-10(4-2)14(16)15(17)12-5-6-13-11(9-12)7-8-18-13/h5-6,9-10,14,16H,3-4,7-8H2,1-2H3
InChIKeyFJVWGDIRNQQPBW-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106286086
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
CID 103456024
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(piperidin-1-ylmethyl)butan-1-one;hydrochloride
CID 70496178
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66471641
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
CID 116826629

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one (CID 103458617) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one is CCC(CC)C(O)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one?
The InChIKey is FJVWGDIRNQQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-10(4-2)14(16)15(17)12-5-6-13-11(9-12)7-8-18-13/h5-6,9-10,14,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one has a molecular weight of 248.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one is sourced from PubChem (CID 103458617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).