1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone

C11H12O2 — CID 117201759

IUPAC1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone
SMILESCC(=O)C1COc2ccc(C)cc21
InChIInChI=1S/C11H12O2/c1-7-3-4-11-9(5-7)10(6-13-11)8(2)12/h3-5,10H,6H2,1-2H3
InChIKeyWAVVVLHFLQSJMK-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.06
Rot. Bonds1

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

1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone (PubChem CID 117201759) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone
PubChem CID117201759
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone
SMILESCC(=O)C1COc2ccc(C)cc21
InChIInChI=1S/C11H12O2/c1-7-3-4-11-9(5-7)10(6-13-11)8(2)12/h3-5,10H,6H2,1-2H3
InChIKeyWAVVVLHFLQSJMK-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2,3-dihydro-1H-indol-3-yl)ethanone
CID 117201827
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117201770
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
2-[(4-hydroxy-6-methyl-3,4-dihydro-2H-chromen-3-yl)-methylamino]acetic acid
CID 82186631
2-[(3R)-6-methyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 98789085
7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 16723715
(3S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 97028374
(NE)-N-[1-[(3S)-5-bromo-2,3-dihydro-1-benzofuran-3-yl]ethylidene]hydroxylamine
CID 98288279
6-methyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013062
(7-methyl-4-oxo-2,3-dihydro-1,5-benzodioxepin-3-yl) acetate
CID 102597094
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone (CID 117201759) is 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone is CC(=O)C1COc2ccc(C)cc21.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone?
The InChIKey is WAVVVLHFLQSJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-3-4-11-9(5-7)10(6-13-11)8(2)12/h3-5,10H,6H2,1-2H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone?
1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 117201759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).