2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone

C13H14O3 — CID 103456024

IUPAC2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
SMILESO=C(c1ccc2c(c1)CCO2)C(O)C1CC1
InChIInChI=1S/C13H14O3/c14-12(8-1-2-8)13(15)10-3-4-11-9(7-10)5-6-16-11/h3-4,7-8,12,14H,1-2,5-6H2
InChIKeySWDFLPJRQAFTNU-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.58
Rot. Bonds3

About 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone

2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone (PubChem CID 103456024) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
PubChem CID103456024
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone
SMILESO=C(c1ccc2c(c1)CCO2)C(O)C1CC1
InChIInChI=1S/C13H14O3/c14-12(8-1-2-8)13(15)10-3-4-11-9(7-10)5-6-16-11/h3-4,7-8,12,14H,1-2,5-6H2
InChIKeySWDFLPJRQAFTNU-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridin-4-ylpropan-1-one
CID 66471641
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxo-2-phenylpropanenitrile
CID 60977430
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
3-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 62201071
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
2-(4-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanenitrile
CID 62200890
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone?
The IUPAC name of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone (CID 103456024) is 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone is O=C(c1ccc2c(c1)CCO2)C(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone?
The InChIKey is SWDFLPJRQAFTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-12(8-1-2-8)13(15)10-3-4-11-9(7-10)5-6-16-11/h3-4,7-8,12,14H,1-2,5-6H2.
What are the key properties of 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone?
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone has a molecular weight of 218.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethanone is sourced from PubChem (CID 103456024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).