1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone

C12H12O2 — CID 15841993

IUPAC1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C12H12O2/c1-7-4-5-11-10(6-7)8(2)12(14-11)9(3)13/h4-6H,1-3H3
InChIKeyWUJLHEYDSHCIIR-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.25
Rot. Bonds1

About 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone

1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone (PubChem CID 15841993) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
PubChem CID15841993
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C12H12O2/c1-7-4-5-11-10(6-7)8(2)12(14-11)9(3)13/h4-6H,1-3H3
InChIKeyWUJLHEYDSHCIIR-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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Related Compounds

(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43394206
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
N-(4-acetylphenyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 7464080
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
(4-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 107355103
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
(3-bromo-4-fluorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanone
CID 63545779
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
3-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 82394773
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
CID 59788921

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone (CID 15841993) is 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2ccc(C)cc2c1C.
What is the InChIKey of 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone?
The InChIKey is WUJLHEYDSHCIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-7-4-5-11-10(6-7)8(2)12(14-11)9(3)13/h4-6H,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone?
1-(3,5-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-(3,5-dimethyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 15841993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).