1-(5-methyl-1-benzofuran-2-yl)ethanone

C11H10O2 — CID 15549614

IUPAC1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)6-11(13-10)8(2)12/h3-6H,1-2H3
InChIKeyHWQKNXIRUNXZTO-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.94
Rot. Bonds1

About 1-(5-methyl-1-benzofuran-2-yl)ethanone

1-(5-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 15549614) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)ethanone
PubChem CID15549614
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)6-11(13-10)8(2)12/h3-6H,1-2H3
InChIKeyHWQKNXIRUNXZTO-UHFFFAOYSA-N
XLogP2.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-(5-propyl-1-benzofuran-2-yl)ethanone
CID 65428226
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736841
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)ethanone (CID 15549614) is 1-(5-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is HWQKNXIRUNXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)6-11(13-10)8(2)12/h3-6H,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)ethanone?
1-(5-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 174.20 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 15549614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).