3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran

C16H12O2 — CID 119026131

IUPAC3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
SMILESCc1coc2ccc3c(ccc4occ(C)c43)c12
InChIInChI=1S/C16H12O2/c1-9-7-17-13-5-4-12-11(15(9)13)3-6-14-16(12)10(2)8-18-14/h3-8H,1-2H3
InChIKeyURBMTWPOMYRUPW-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.95
Rot. Bonds

About 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran

3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran (PubChem CID 119026131) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran.

Molecular Properties

Compound Name3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
PubChem CID119026131
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
SMILESCc1coc2ccc3c(ccc4occ(C)c43)c12
InChIInChI=1S/C16H12O2/c1-9-7-17-13-5-4-12-11(15(9)13)3-6-14-16(12)10(2)8-18-14/h3-8H,1-2H3
InChIKeyURBMTWPOMYRUPW-UHFFFAOYSA-N
XLogP4.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethylbenzo[e][1]benzofuran
CID 172538519
1-methylbenzo[e][1]benzofuran
CID 13085655
4-amino-3-methyl-1-benzofuran-5-ol
CID 82415187
(3,5-dimethyl-1-benzofuran-4-yl) acetate
CID 121007972
ethane;4-methoxy-3-methyl-1-benzofuran
CID 142181981
2-(4-hydroxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141466718
3-methyl-1-benzofuran-6-carboxylic acid
CID 69362460
3-methyl-1-benzofuran-4-sulfonyl chloride
CID 83823871
6-ethyl-3-methyl-1-benzofuran
CID 45122551
6-(chloromethyl)-3-methyl-1-benzofuran
CID 170914014
2-methyl-2-(3-methyl-1-benzofuran-4-yl)propan-1-ol
CID 117292656
3-hydroxy-2-(2-methoxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141464819

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran?
The IUPAC name of 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran (CID 119026131) is 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran.
What is the SMILES notation for 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran?
The canonical SMILES for 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran is Cc1coc2ccc3c(ccc4occ(C)c43)c12.
What is the InChIKey of 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran?
The InChIKey is URBMTWPOMYRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-9-7-17-13-5-4-12-11(15(9)13)3-6-14-16(12)10(2)8-18-14/h3-8H,1-2H3.
What are the key properties of 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran?
3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran has a molecular weight of 236.27 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran is sourced from PubChem (CID 119026131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).