1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone

C16H14O2 — CID 138501963

IUPAC1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(C)c3ccccc3c(C)c2o1
InChIInChI=1S/C16H14O2/c1-9-12-6-4-5-7-13(12)10(2)16-14(9)8-15(18-16)11(3)17/h4-8H,1-3H3
InChIKeyNRXLBCOUWIXESB-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.41
Rot. Bonds1

About 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone

1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone (PubChem CID 138501963) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone
PubChem CID138501963
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2c(C)c3ccccc3c(C)c2o1
InChIInChI=1S/C16H14O2/c1-9-12-6-4-5-7-13(12)10(2)16-14(9)8-15(18-16)11(3)17/h4-8H,1-3H3
InChIKeyNRXLBCOUWIXESB-UHFFFAOYSA-N
XLogP4.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone?
The IUPAC name of 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone (CID 138501963) is 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone is CC(=O)c1cc2c(C)c3ccccc3c(C)c2o1.
What is the InChIKey of 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone?
The InChIKey is NRXLBCOUWIXESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-9-12-6-4-5-7-13(12)10(2)16-14(9)8-15(18-16)11(3)17/h4-8H,1-3H3.
What are the key properties of 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone?
1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,9-dimethylbenzo[f][1]benzofuran-2-yl)ethanone is sourced from PubChem (CID 138501963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).