1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one

C15H18O2 — CID 155207613

IUPAC1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
SMILESCCc1ccc2c(C(=O)C(C)(C)C)coc2c1
InChIInChI=1S/C15H18O2/c1-5-10-6-7-11-12(9-17-13(11)8-10)14(16)15(2,3)4/h6-9H,5H2,1-4H3
InChIKeyYECWNOQGFRHCHV-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.22
Rot. Bonds2

About 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one

1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 155207613) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
PubChem CID155207613
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
SMILESCCc1ccc2c(C(=O)C(C)(C)C)coc2c1
InChIInChI=1S/C15H18O2/c1-5-10-6-7-11-12(9-17-13(11)8-10)14(16)15(2,3)4/h6-9H,5H2,1-4H3
InChIKeyYECWNOQGFRHCHV-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-benzofuran-3-carboxylic acid
CID 155722437
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
6-ethyl-3-methyl-1-benzofuran
CID 45122551
1-[6-[[tert-butyl(methyl)silyl]oxymethyl]-1-benzofuran-3-yl]ethanone
CID 137330480
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 125144696
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 16605098
tert-butyl 4-[(3-ethoxycarbonyl-1-benzofuran-6-yl)methyl]piperidine-1-carboxylate
CID 177363519
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate
CID 102421543
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one (CID 155207613) is 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one is CCc1ccc2c(C(=O)C(C)(C)C)coc2c1.
What is the InChIKey of 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is YECWNOQGFRHCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-10-6-7-11-12(9-17-13(11)8-10)14(16)15(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one?
1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 230.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 155207613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).