1-(6-methyl-1-benzofuran-2-yl)ethanone

C22H20O4 — CID 159473013

IUPAC1-(6-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2ccc(C)cc2o1.CC(=O)c1cc2ccc(C)cc2o1
InChIInChI=1S/2C11H10O2/c2*1-7-3-4-9-6-10(8(2)12)13-11(9)5-7/h2*3-6H,1-2H3
InChIKeyLWAMWAQVJZZJOL-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.89
Rot. Bonds2

About 1-(6-methyl-1-benzofuran-2-yl)ethanone

1-(6-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 159473013) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(6-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-1-benzofuran-2-yl)ethanone
PubChem CID159473013
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name1-(6-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2ccc(C)cc2o1.CC(=O)c1cc2ccc(C)cc2o1
InChIInChI=1S/2C11H10O2/c2*1-7-3-4-9-6-10(8(2)12)13-11(9)5-7/h2*3-6H,1-2H3
InChIKeyLWAMWAQVJZZJOL-UHFFFAOYSA-N
XLogP5.89
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
ethyl 2-(6-methyl-1-benzofuran-2-yl)-2-oxoacetate
CID 115072591
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
(4-amino-5-methylpyrazol-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 112521663
(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 84575451
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 84575561

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(6-methyl-1-benzofuran-2-yl)ethanone (CID 159473013) is 1-(6-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(6-methyl-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2ccc(C)cc2o1.CC(=O)c1cc2ccc(C)cc2o1.
What is the InChIKey of 1-(6-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is LWAMWAQVJZZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10O2/c2*1-7-3-4-9-6-10(8(2)12)13-11(9)5-7/h2*3-6H,1-2H3.
What are the key properties of 1-(6-methyl-1-benzofuran-2-yl)ethanone?
1-(6-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 348.40 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 159473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).