2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one

C15H14O2 — CID 89284176

IUPAC2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one
SMILESC=C1C(=O)C2=C(OC(CC)C2)c2ccccc21
InChIInChI=1S/C15H14O2/c1-3-10-8-13-14(16)9(2)11-6-4-5-7-12(11)15(13)17-10/h4-7,10H,2-3,8H2,1H3
InChIKeyBZTOAKNGXQWTQV-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.19
Rot. Bonds1

About 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one

2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one (PubChem CID 89284176) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one.

Molecular Properties

Compound Name2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one
PubChem CID89284176
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one
SMILESC=C1C(=O)C2=C(OC(CC)C2)c2ccccc21
InChIInChI=1S/C15H14O2/c1-3-10-8-13-14(16)9(2)11-6-4-5-7-12(11)15(13)17-10/h4-7,10H,2-3,8H2,1H3
InChIKeyBZTOAKNGXQWTQV-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one?
The IUPAC name of 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one (CID 89284176) is 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one.
What is the SMILES notation for 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one?
The canonical SMILES for 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one is C=C1C(=O)C2=C(OC(CC)C2)c2ccccc21.
What is the InChIKey of 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one?
The InChIKey is BZTOAKNGXQWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-10-8-13-14(16)9(2)11-6-4-5-7-12(11)15(13)17-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one?
2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one has a molecular weight of 226.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylidene-2,3-dihydrobenzo[g][1]benzofuran-4-one is sourced from PubChem (CID 89284176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).