1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one

C15H18O2 — CID 22144910

IUPAC1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one
SMILESCCC(C)c1cc(CC(C)=O)c2occc2c1
InChIInChI=1S/C15H18O2/c1-4-10(2)13-8-12-5-6-17-15(12)14(9-13)7-11(3)16/h5-6,8-10H,4,7H2,1-3H3
InChIKeyRJEHXBNISWVNER-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.08
Rot. Bonds4

About 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one

1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one (PubChem CID 22144910) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one
PubChem CID22144910
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one
SMILESCCC(C)c1cc(CC(C)=O)c2occc2c1
InChIInChI=1S/C15H18O2/c1-4-10(2)13-8-12-5-6-17-15(12)14(9-13)7-11(3)16/h5-6,8-10H,4,7H2,1-3H3
InChIKeyRJEHXBNISWVNER-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one?
The IUPAC name of 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one (CID 22144910) is 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one.
What is the SMILES notation for 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one?
The canonical SMILES for 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one is CCC(C)c1cc(CC(C)=O)c2occc2c1.
What is the InChIKey of 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one?
The InChIKey is RJEHXBNISWVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-10(2)13-8-12-5-6-17-15(12)14(9-13)7-11(3)16/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one?
1-(5-butan-2-yl-1-benzofuran-7-yl)propan-2-one has a molecular weight of 230.31 g/mol, XLogP of 4.08, 4 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-1-benzofuran-7-yl)propan-2-one is sourced from PubChem (CID 22144910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).