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

C15H18O2 — CID 65427273

IUPAC1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
SMILESCCCC(=O)c1cc2cccc(C(C)C)c2o1
InChIInChI=1S/C15H18O2/c1-4-6-13(16)14-9-11-7-5-8-12(10(2)3)15(11)17-14/h5,7-10H,4,6H2,1-3H3
InChIKeyWPILZACUCXSMND-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.54
Rot. Bonds4

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

1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one (PubChem CID 65427273) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
PubChem CID65427273
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one
SMILESCCCC(=O)c1cc2cccc(C(C)C)c2o1
InChIInChI=1S/C15H18O2/c1-4-6-13(16)14-9-11-7-5-8-12(10(2)3)15(11)17-14/h5,7-10H,4,6H2,1-3H3
InChIKeyWPILZACUCXSMND-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-ethyl-1-benzofuran-2-yl)butan-1-one
CID 65427841
7-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 82372668
N,N-dimethyl-7-propan-2-yl-1-benzofuran-2-carboxamide
CID 176931858
2,2-dimethyl-1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-one
CID 65427274
1-(7-butan-2-yl-1-benzofuran-2-yl)ethanone
CID 14468441
1-(7-propan-2-yl-1-benzofuran-2-yl)propan-1-ol
CID 65440315
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
CID 65427670
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114736731
4-(2-aminoethyl)-1-(7-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736821
7-propan-2-yl-1-benzofuran-2-carbaldehyde
CID 10750112

Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one (CID 65427273) is 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one is CCCC(=O)c1cc2cccc(C(C)C)c2o1.
What is the InChIKey of 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one?
The InChIKey is WPILZACUCXSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-6-13(16)14-9-11-7-5-8-12(10(2)3)15(11)17-14/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one?
1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one has a molecular weight of 230.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 65427273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).