1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone

C12H14O3 — CID 83882744

IUPAC1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCOc1cc2c(cc1C(C)=O)CC(C)O2
InChIInChI=1S/C12H14O3/c1-7-4-9-5-10(8(2)13)12(14-3)6-11(9)15-7/h5-7H,4H2,1-3H3
InChIKeyRFMIIPCIMVHHIY-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds2

About 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone

1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 83882744) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID83882744
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCOc1cc2c(cc1C(C)=O)CC(C)O2
InChIInChI=1S/C12H14O3/c1-7-4-9-5-10(8(2)13)12(14-3)6-11(9)15-7/h5-7H,4H2,1-3H3
InChIKeyRFMIIPCIMVHHIY-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83877984
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylpentane-1,4-dione
CID 115349529
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
CID 113291875
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
CID 115349494
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate
CID 115349864
(2S)-5-methoxy-2-methyl-6-[(E)-2-nitroprop-1-enyl]-2,3-dihydro-1-benzofuran
CID 7116379
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
3-(dimethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350104

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 83882744) is 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone is COc1cc2c(cc1C(C)=O)CC(C)O2.
What is the InChIKey of 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is RFMIIPCIMVHHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-4-9-5-10(8(2)13)12(14-3)6-11(9)15-7/h5-7H,4H2,1-3H3.
What are the key properties of 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 206.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 83882744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).