3,9-dimethylbenzo[g][1]benzofuran

C14H12O — CID 172538502

IUPAC3,9-dimethylbenzo[g][1]benzofuran
SMILESCc1coc2c1ccc1cccc(C)c12
InChIInChI=1S/C14H12O/c1-9-4-3-5-11-6-7-12-10(2)8-15-14(12)13(9)11/h3-8H,1-2H3
InChIKeyNEANQYRDELEHKR-UHFFFAOYSA-N
MW196.25 g/mol
LogP4.20
Rot. Bonds

About 3,9-dimethylbenzo[g][1]benzofuran

3,9-dimethylbenzo[g][1]benzofuran (PubChem CID 172538502) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,9-dimethylbenzo[g][1]benzofuran.

Molecular Properties

Compound Name3,9-dimethylbenzo[g][1]benzofuran
PubChem CID172538502
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3,9-dimethylbenzo[g][1]benzofuran
SMILESCc1coc2c1ccc1cccc(C)c12
InChIInChI=1S/C14H12O/c1-9-4-3-5-11-6-7-12-10(2)8-15-14(12)13(9)11/h3-8H,1-2H3
InChIKeyNEANQYRDELEHKR-UHFFFAOYSA-N
XLogP4.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4,5-dimethylphenanthrene;ethane
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1,8-dimethylnaphthalene;ethane
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3,4-dimethylperylene
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7-chloro-3-methyl-1-benzofuran
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CID 10264769
3-methyl-1-benzofuran-7-carboxylic acid
CID 15643781
7-(isocyanatomethyl)-3-methyl-1-benzofuran
CID 117280756
3-methyl-7-nitro-1-benzofuran
CID 10241335
3,6-dimethyl-8H-furo[3,2-g]indole
CID 69040926
1-methylbenzo[e][1]benzofuran
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10-methylnaphtho[1,2-b][1]benzofuran
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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethylbenzo[g][1]benzofuran?
The IUPAC name of 3,9-dimethylbenzo[g][1]benzofuran (CID 172538502) is 3,9-dimethylbenzo[g][1]benzofuran.
What is the SMILES notation for 3,9-dimethylbenzo[g][1]benzofuran?
The canonical SMILES for 3,9-dimethylbenzo[g][1]benzofuran is Cc1coc2c1ccc1cccc(C)c12.
What is the InChIKey of 3,9-dimethylbenzo[g][1]benzofuran?
The InChIKey is NEANQYRDELEHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-9-4-3-5-11-6-7-12-10(2)8-15-14(12)13(9)11/h3-8H,1-2H3.
What are the key properties of 3,9-dimethylbenzo[g][1]benzofuran?
3,9-dimethylbenzo[g][1]benzofuran has a molecular weight of 196.25 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethylbenzo[g][1]benzofuran is sourced from PubChem (CID 172538502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).