1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone

C12H12O2 — CID 21481497

IUPAC1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(C)cc(C)c2o1
InChIInChI=1S/C12H12O2/c1-7-4-8(2)12-10(5-7)6-11(14-12)9(3)13/h4-6H,1-3H3
InChIKeyNTSDVXMQZZWWQY-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.25
Rot. Bonds1

About 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone

1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone (PubChem CID 21481497) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
PubChem CID21481497
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(C)cc(C)c2o1
InChIInChI=1S/C12H12O2/c1-7-4-8(2)12-10(5-7)6-11(14-12)9(3)13/h4-6H,1-3H3
InChIKeyNTSDVXMQZZWWQY-UHFFFAOYSA-N
XLogP3.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone (CID 21481497) is 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(C)cc(C)c2o1.
What is the InChIKey of 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone?
The InChIKey is NTSDVXMQZZWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-7-4-8(2)12-10(5-7)6-11(14-12)9(3)13/h4-6H,1-3H3.
What are the key properties of 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone?
1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone has a molecular weight of 188.23 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 21481497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).