1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone

C15H12O3 — CID 828363

IUPAC1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(C)oc2c1cc(O)c1ccccc12
InChIInChI=1S/C15H12O3/c1-8(16)14-9(2)18-15-11-6-4-3-5-10(11)13(17)7-12(14)15/h3-7,17H,1-2H3
InChIKeyPLXKLMGCHCVFMF-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.80
Rot. Bonds1

About 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone

1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone (PubChem CID 828363) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone
PubChem CID828363
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(C)oc2c1cc(O)c1ccccc12
InChIInChI=1S/C15H12O3/c1-8(16)14-9(2)18-15-11-6-4-3-5-10(11)13(17)7-12(14)15/h3-7,17H,1-2H3
InChIKeyPLXKLMGCHCVFMF-UHFFFAOYSA-N
XLogP3.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone (CID 828363) is 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone is CC(=O)c1c(C)oc2c1cc(O)c1ccccc12.
What is the InChIKey of 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone?
The InChIKey is PLXKLMGCHCVFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-8(16)14-9(2)18-15-11-6-4-3-5-10(11)13(17)7-12(14)15/h3-7,17H,1-2H3.
What are the key properties of 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone?
1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone has a molecular weight of 240.26 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-methylbenzo[g][1]benzofuran-3-yl)ethanone is sourced from PubChem (CID 828363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).