9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran

C16H16O2 — CID 3084982

IUPAC9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran
SMILESCOc1c2cccc(C)c2c(C)c2c(C)coc12
InChIInChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3
InChIKeyCPUMSSKXMLYDJO-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.52
Rot. Bonds1

About 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran

9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran (PubChem CID 3084982) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran.

Molecular Properties

Compound Name9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran
PubChem CID3084982
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran
SMILESCOc1c2cccc(C)c2c(C)c2c(C)coc12
InChIInChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3
InChIKeyCPUMSSKXMLYDJO-UHFFFAOYSA-N
XLogP4.52
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran?
The IUPAC name of 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran (CID 3084982) is 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran.
What is the SMILES notation for 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran?
The canonical SMILES for 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran is COc1c2cccc(C)c2c(C)c2c(C)coc12.
What is the InChIKey of 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran?
The InChIKey is CPUMSSKXMLYDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5-8H,1-4H3.
What are the key properties of 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran?
9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran has a molecular weight of 240.30 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-3,4,5-trimethylbenzo[f][1]benzofuran is sourced from PubChem (CID 3084982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).