9-methoxy-4,5-dimethylbenzo[f][1]benzofuran

C15H14O2 — CID 162989540

IUPAC9-methoxy-4,5-dimethylbenzo[f][1]benzofuran
SMILESCOc1c2cccc(C)c2c(C)c2ccoc12
InChIInChI=1S/C15H14O2/c1-9-5-4-6-12-13(9)10(2)11-7-8-17-15(11)14(12)16-3/h4-8H,1-3H3
InChIKeyJDFOOUGTUNVBNN-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.21
Rot. Bonds1

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

9-methoxy-4,5-dimethylbenzo[f][1]benzofuran (PubChem CID 162989540) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran.

Molecular Properties

Compound Name9-methoxy-4,5-dimethylbenzo[f][1]benzofuran
PubChem CID162989540
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name9-methoxy-4,5-dimethylbenzo[f][1]benzofuran
SMILESCOc1c2cccc(C)c2c(C)c2ccoc12
InChIInChI=1S/C15H14O2/c1-9-5-4-6-12-13(9)10(2)11-7-8-17-15(11)14(12)16-3/h4-8H,1-3H3
InChIKeyJDFOOUGTUNVBNN-UHFFFAOYSA-N
XLogP4.21
TPSA22.37 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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-dimethylfuro[2,3-f][1]benzofuran
CID 130182469
2,3-dimethoxy-5-methylnaphthalene-1,4-diol
CID 21399669
ethane;8-methoxy-7-methylfuro[3,2-c]oxepine-4,6-dione
CID 153362051
2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 117333887
(4-formyl-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl) acetate
CID 162886878
1,4-dimethoxy-5-methylnaphthalene-2,3-dicarbonitrile
CID 102300495
acetic acid;[4-(hydroxymethyl)-9-methoxy-5-methylbenzo[f][1]benzofuran-3-yl]methanol
CID 71383622
4-methoxy-5-methyl-6H-furo[3,4-g][1]benzofuran-8-one
CID 11687183
8-(1-isocyanatocyclopropyl)-4-methoxyfuro[2,3-f][1]benzofuran
CID 117426059
1,3,4-trimethoxy-8-methylnaphthalene-2-carboxylic acid
CID 68764858
1-[7-methoxy-4-methyl-6-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
CID 24995450
4-methoxy-5-methyl-1-benzofuran
CID 22940027

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran?
The IUPAC name of 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran (CID 162989540) is 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran.
What is the SMILES notation for 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran?
The canonical SMILES for 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran is COc1c2cccc(C)c2c(C)c2ccoc12.
What is the InChIKey of 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran?
The InChIKey is JDFOOUGTUNVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-9-5-4-6-12-13(9)10(2)11-7-8-17-15(11)14(12)16-3/h4-8H,1-3H3.
What are the key properties of 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran?
9-methoxy-4,5-dimethylbenzo[f][1]benzofuran has a molecular weight of 226.28 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4,5-dimethylbenzo[f][1]benzofuran is sourced from PubChem (CID 162989540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).