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

C15H18O3 — CID 113291875

IUPAC1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
SMILESCOc1cc2c(cc1C1CC1C(C)=O)OC(C)C2
InChIInChI=1S/C15H18O3/c1-8-4-10-5-15(17-3)13(7-14(10)18-8)12-6-11(12)9(2)16/h5,7-8,11-12H,4,6H2,1-3H3
InChIKeyBOROXMRJKWWSGY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.71
Rot. Bonds3

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

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone (PubChem CID 113291875) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
PubChem CID113291875
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
SMILESCOc1cc2c(cc1C1CC1C(C)=O)OC(C)C2
InChIInChI=1S/C15H18O3/c1-8-4-10-5-15(17-3)13(7-14(10)18-8)12-6-11(12)9(2)16/h5,7-8,11-12H,4,6H2,1-3H3
InChIKeyBOROXMRJKWWSGY-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
1-[2-(2,4,5-trimethoxyphenyl)cyclopropyl]ethanone
CID 43150256
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
CID 115350069
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one
CID 103439709
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid
CID 115349879
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylpentane-1,4-dione
CID 115349529
1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 113291957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone (CID 113291875) is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone is COc1cc2c(cc1C1CC1C(C)=O)OC(C)C2.
What is the InChIKey of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone?
The InChIKey is BOROXMRJKWWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-8-4-10-5-15(17-3)13(7-14(10)18-8)12-6-11(12)9(2)16/h5,7-8,11-12H,4,6H2,1-3H3.
What are the key properties of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone?
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone is sourced from PubChem (CID 113291875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).