1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone

C15H18O2 — CID 107667352

IUPAC1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCCC(C)c1ccc2oc(C(C)=O)c(C)c2c1
InChIInChI=1S/C15H18O2/c1-5-9(2)12-6-7-14-13(8-12)10(3)15(17-14)11(4)16/h6-9H,5H2,1-4H3
InChIKeyVOXZCTIORSAFCW-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.46
Rot. Bonds3

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

1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 107667352) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID107667352
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCCC(C)c1ccc2oc(C(C)=O)c(C)c2c1
InChIInChI=1S/C15H18O2/c1-5-9(2)12-6-7-14-13(8-12)10(3)15(17-14)11(4)16/h6-9H,5H2,1-4H3
InChIKeyVOXZCTIORSAFCW-UHFFFAOYSA-N
XLogP4.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)methanamine
CID 107668321
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
5-butan-2-yl-1-benzofuran-2-carboxamide
CID 155041385
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868
[2-(4-butan-2-ylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 3608842
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
1-(5-hydroxy-3-methyl-1-benzofuran-2-yl)butan-1-one
CID 86140540
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone (CID 107667352) is 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone is CCC(C)c1ccc2oc(C(C)=O)c(C)c2c1.
What is the InChIKey of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is VOXZCTIORSAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-9(2)12-6-7-14-13(8-12)10(3)15(17-14)11(4)16/h6-9H,5H2,1-4H3.
What are the key properties of 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone?
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 230.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 107667352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).