1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one

C15H16O2 — CID 101462387

IUPAC1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
SMILESC=Cc1oc2ccccc2c1CCC(=O)CC
InChIInChI=1S/C15H16O2/c1-3-11(16)9-10-13-12-7-5-6-8-15(12)17-14(13)4-2/h4-8H,2-3,9-10H2,1H3
InChIKeyLIIPQSUIFGUVSU-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.99
Rot. Bonds5

About 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one

1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one (PubChem CID 101462387) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one.

Molecular Properties

Compound Name1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
PubChem CID101462387
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
SMILESC=Cc1oc2ccccc2c1CCC(=O)CC
InChIInChI=1S/C15H16O2/c1-3-11(16)9-10-13-12-7-5-6-8-15(12)17-14(13)4-2/h4-8H,2-3,9-10H2,1H3
InChIKeyLIIPQSUIFGUVSU-UHFFFAOYSA-N
XLogP3.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
CID 101462392
methanamine;1-phenylpentan-3-one
CID 167492251
1-(4-ethenylphenyl)pentan-3-one
CID 20804902
2-but-3-en-2-yl-3-propyl-1-benzofuran
CID 123920542
2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran
CID 145452303
[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid
CID 144781965
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
dibenzofuran;ethanol
CID 174821059
(3-prop-2-enyl-1-benzofuran-2-yl)carbamic acid
CID 70452250
3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran
CID 129286688
3,4-diethylchromen-2-one
CID 11680028
3-ethenyl-2-[(Z)-pent-2-en-2-yl]-1-benzofuran
CID 143232287

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one?
The IUPAC name of 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one (CID 101462387) is 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one.
What is the SMILES notation for 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one?
The canonical SMILES for 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one is C=Cc1oc2ccccc2c1CCC(=O)CC.
What is the InChIKey of 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one?
The InChIKey is LIIPQSUIFGUVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-11(16)9-10-13-12-7-5-6-8-15(12)17-14(13)4-2/h4-8H,2-3,9-10H2,1H3.
What are the key properties of 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one?
1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one has a molecular weight of 228.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one is sourced from PubChem (CID 101462387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).