1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone

C13H14O2 — CID 43155116

IUPAC1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(C)cc(C)cc2c1C
InChIInChI=1S/C13H14O2/c1-7-5-8(2)12-11(6-7)9(3)13(15-12)10(4)14/h5-6H,1-4H3
InChIKeyREEMHXIXFXCLJU-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.56
Rot. Bonds1

About 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone

1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone (PubChem CID 43155116) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
PubChem CID43155116
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2c(C)cc(C)cc2c1C
InChIInChI=1S/C13H14O2/c1-7-5-8(2)12-11(6-7)9(3)13(15-12)10(4)14/h5-6H,1-4H3
InChIKeyREEMHXIXFXCLJU-UHFFFAOYSA-N
XLogP3.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 43155099
N-(4-acetamidophenyl)-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 27104970
1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155094
3,4,6,8-tetramethylchromen-2-one
CID 71322900
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
3-tert-butyl-5,7-dimethyl-1-benzofuran-2-carboxylic acid
CID 55068543
3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 163347487
1-(5,7-dimethyl-1-benzofuran-2-yl)ethanone
CID 21481497
methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
CID 158660915
N-[(2-fluorophenyl)methyl]-3,5,7-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35578886
3,5,7-trimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 118984818
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3,5,7-trimethyl-1-benzofuran-2-carboxamide
CID 4899000

Frequently Asked Questions

What is the IUPAC name of 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone (CID 43155116) is 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2c(C)cc(C)cc2c1C.
What is the InChIKey of 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone?
The InChIKey is REEMHXIXFXCLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-7-5-8(2)12-11(6-7)9(3)13(15-12)10(4)14/h5-6H,1-4H3.
What are the key properties of 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone?
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone has a molecular weight of 202.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 43155116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).