1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one

C15H18O3 — CID 146470701

IUPAC1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one
SMILESCOc1cccc2c(CC(=O)C(C)(C)C)coc12
InChIInChI=1S/C15H18O3/c1-15(2,3)13(16)8-10-9-18-14-11(10)6-5-7-12(14)17-4/h5-7,9H,8H2,1-4H3
InChIKeyGCOFHDPZSDPQMY-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.60
Rot. Bonds3

About 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one

1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one (PubChem CID 146470701) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one
PubChem CID146470701
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one
SMILESCOc1cccc2c(CC(=O)C(C)(C)C)coc12
InChIInChI=1S/C15H18O3/c1-15(2,3)13(16)8-10-9-18-14-11(10)6-5-7-12(14)17-4/h5-7,9H,8H2,1-4H3
InChIKeyGCOFHDPZSDPQMY-UHFFFAOYSA-N
XLogP3.60
TPSA39.44 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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one with MolForge

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Related Compounds

ethyl 2-(7-methoxy-1-benzofuran-3-yl)acetate
CID 22734085
2-(7-methoxy-1-benzofuran-3-yl)ethanol
CID 22662935
2-[2,2-dimethylpropyl-[2-(7-methoxy-1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 167742943
(3S)-4-(7-methoxy-1-benzofuran-3-yl)-3-methylbutan-2-one
CID 146448333
2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
CID 15618729
1-[(1R,2S,4S,5S)-6-azatricyclo[3.2.1.02,4]octan-6-yl]-2-(7-methoxy-1-benzofuran-3-yl)ethanone
CID 166296473
[3-(acetamidomethyl)-1-benzofuran-7-yl] acetate
CID 18351826
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
3-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-8-methoxychromen-4-one
CID 67081726
(NZ)-N-[(7-methoxy-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 177496545
8-methoxy-4-oxochromene-3-carbonitrile
CID 13428164
2-[[3-(2-methylsulfanylethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 18351575

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one (CID 146470701) is 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one is COc1cccc2c(CC(=O)C(C)(C)C)coc12.
What is the InChIKey of 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one?
The InChIKey is GCOFHDPZSDPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-15(2,3)13(16)8-10-9-18-14-11(10)6-5-7-12(14)17-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one?
1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one has a molecular weight of 246.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-benzofuran-3-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 146470701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).