1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one

C11H10O3 — CID 83697645

IUPAC1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1coc2ccccc12
InChIInChI=1S/C11H10O3/c1-7(12)11(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,12H,1H3
InChIKeyZXNRSWFJUCRLGW-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.00
Rot. Bonds2

About 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one

1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one (PubChem CID 83697645) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
PubChem CID83697645
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
SMILESCC(O)C(=O)c1coc2ccccc12
InChIInChI=1S/C11H10O3/c1-7(12)11(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,12H,1H3
InChIKeyZXNRSWFJUCRLGW-UHFFFAOYSA-N
XLogP2.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
1-(1-benzofuran-3-yl)-2-propan-2-ylsulfonylethanone
CID 64635615
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
1-(1-benzofuran-3-yl)-2-butan-2-ylsulfanylethanone
CID 43802021
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one (CID 83697645) is 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one is CC(O)C(=O)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one?
The InChIKey is ZXNRSWFJUCRLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7(12)11(13)9-6-14-10-5-3-2-4-8(9)10/h2-7,12H,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one?
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one has a molecular weight of 190.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 83697645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).