2-but-3-en-2-yl-3-propyl-1-benzofuran

C15H18O — CID 123920542

IUPAC2-but-3-en-2-yl-3-propyl-1-benzofuran
SMILESC=CC(C)c1oc2ccccc2c1CCC
InChIInChI=1S/C15H18O/c1-4-8-13-12-9-6-7-10-14(12)16-15(13)11(3)5-2/h5-7,9-11H,2,4,8H2,1,3H3
InChIKeyOXLRERRJXIPYPZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.67
Rot. Bonds4

About 2-but-3-en-2-yl-3-propyl-1-benzofuran

2-but-3-en-2-yl-3-propyl-1-benzofuran (PubChem CID 123920542) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-but-3-en-2-yl-3-propyl-1-benzofuran.

Molecular Properties

Compound Name2-but-3-en-2-yl-3-propyl-1-benzofuran
PubChem CID123920542
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name2-but-3-en-2-yl-3-propyl-1-benzofuran
SMILESC=CC(C)c1oc2ccccc2c1CCC
InChIInChI=1S/C15H18O/c1-4-8-13-12-9-6-7-10-14(12)16-15(13)11(3)5-2/h5-7,9-11H,2,4,8H2,1,3H3
InChIKeyOXLRERRJXIPYPZ-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-en-2-yl-3-propyl-1H-indole
CID 143390635
3-(methoxymethyl)-2-propyl-1-benzofuran
CID 101375007
1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
CID 101462387
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]cyclobutanamine
CID 55067360
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
3-but-3-en-2-yl-2-phenylchromen-4-one
CID 102136808
1,4-dimethylidene-2,3-dipropylnaphthalene
CID 178049562
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862790
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
1-(3-ethyl-1-benzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-3-propyl-1-benzofuran?
The IUPAC name of 2-but-3-en-2-yl-3-propyl-1-benzofuran (CID 123920542) is 2-but-3-en-2-yl-3-propyl-1-benzofuran.
What is the SMILES notation for 2-but-3-en-2-yl-3-propyl-1-benzofuran?
The canonical SMILES for 2-but-3-en-2-yl-3-propyl-1-benzofuran is C=CC(C)c1oc2ccccc2c1CCC.
What is the InChIKey of 2-but-3-en-2-yl-3-propyl-1-benzofuran?
The InChIKey is OXLRERRJXIPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-4-8-13-12-9-6-7-10-14(12)16-15(13)11(3)5-2/h5-7,9-11H,2,4,8H2,1,3H3.
What are the key properties of 2-but-3-en-2-yl-3-propyl-1-benzofuran?
2-but-3-en-2-yl-3-propyl-1-benzofuran has a molecular weight of 214.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-3-propyl-1-benzofuran is sourced from PubChem (CID 123920542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).