1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one

C13H14O2 — CID 13148492

IUPAC1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H14O2/c1-13(2,3)12(14)11-8-9-6-4-5-7-10(9)15-11/h4-8H,1-3H3
InChIKeyKXBTXZOQWXVVLF-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.66
Rot. Bonds1

About 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one

1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 13148492) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
PubChem CID13148492
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H14O2/c1-13(2,3)12(14)11-8-9-6-4-5-7-10(9)15-11/h4-8H,1-3H3
InChIKeyKXBTXZOQWXVVLF-UHFFFAOYSA-N
XLogP3.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1-benzofuran-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 114737015
1-(1-benzofuran-2-yl)ethanone
CID 15435
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
CID 171632715
CID 171632715
ethyl 3-(1-benzofuran-2-yl)-2,2-difluoro-3-oxopropanoate
CID 63089558
2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 115869996
1-(1-benzofuran-2-yl)-3,5,5-trimethylhexan-1-one
CID 115807008

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one (CID 13148492) is 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is KXBTXZOQWXVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-13(2,3)12(14)11-8-9-6-4-5-7-10(9)15-11/h4-8H,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one?
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 202.25 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 13148492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).