1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one

C12H14O3 — CID 103446306

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14O3/c1-12(2,14)11(13)9-3-4-10-8(7-9)5-6-15-10/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLFLLVNKMQGAFLN-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.58
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 103446306) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID103446306
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H14O3/c1-12(2,14)11(13)9-3-4-10-8(7-9)5-6-15-10/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLFLLVNKMQGAFLN-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 104542313
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
3-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918114
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
N-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 64992032
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103839805
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879385

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one (CID 103446306) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is LFLLVNKMQGAFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2,14)11(13)9-3-4-10-8(7-9)5-6-15-10/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.58, 2 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)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 103446306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).