1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one

C15H18O2 — CID 103458963

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
SMILESCCC(=CC(=O)c1ccc2c(c1)CCO2)CC
InChIInChI=1S/C15H18O2/c1-3-11(4-2)9-14(16)12-5-6-15-13(10-12)7-8-17-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySLGIQEQBEROVMW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one (PubChem CID 103458963) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
PubChem CID103458963
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
SMILESCCC(=CC(=O)c1ccc2c(c1)CCO2)CC
InChIInChI=1S/C15H18O2/c1-3-11(4-2)9-14(16)12-5-6-15-13(10-12)7-8-17-15/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeySLGIQEQBEROVMW-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one (CID 103458963) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one is CCC(=CC(=O)c1ccc2c(c1)CCO2)CC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one?
The InChIKey is SLGIQEQBEROVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-11(4-2)9-14(16)12-5-6-15-13(10-12)7-8-17-15/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one is sourced from PubChem (CID 103458963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).