3,6-dimethylbenzo[f][1]benzofuran

C14H12O — CID 13333920

IUPAC3,6-dimethylbenzo[f][1]benzofuran
SMILESCc1ccc2cc3occ(C)c3cc2c1
InChIInChI=1S/C14H12O/c1-9-3-4-11-7-14-13(6-12(11)5-9)10(2)8-15-14/h3-8H,1-2H3
InChIKeyIPFUFHNSZYYJTN-UHFFFAOYSA-N
MW196.25 g/mol
LogP4.20
Rot. Bonds

About 3,6-dimethylbenzo[f][1]benzofuran

3,6-dimethylbenzo[f][1]benzofuran (PubChem CID 13333920) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,6-dimethylbenzo[f][1]benzofuran.

Molecular Properties

Compound Name3,6-dimethylbenzo[f][1]benzofuran
PubChem CID13333920
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name3,6-dimethylbenzo[f][1]benzofuran
SMILESCc1ccc2cc3occ(C)c3cc2c1
InChIInChI=1S/C14H12O/c1-9-3-4-11-7-14-13(6-12(11)5-9)10(2)8-15-14/h3-8H,1-2H3
InChIKeyIPFUFHNSZYYJTN-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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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylbenzo[f][1]benzofuran?
The IUPAC name of 3,6-dimethylbenzo[f][1]benzofuran (CID 13333920) is 3,6-dimethylbenzo[f][1]benzofuran.
What is the SMILES notation for 3,6-dimethylbenzo[f][1]benzofuran?
The canonical SMILES for 3,6-dimethylbenzo[f][1]benzofuran is Cc1ccc2cc3occ(C)c3cc2c1.
What is the InChIKey of 3,6-dimethylbenzo[f][1]benzofuran?
The InChIKey is IPFUFHNSZYYJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-9-3-4-11-7-14-13(6-12(11)5-9)10(2)8-15-14/h3-8H,1-2H3.
What are the key properties of 3,6-dimethylbenzo[f][1]benzofuran?
3,6-dimethylbenzo[f][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 3,6-dimethylbenzo[f][1]benzofuran is sourced from PubChem (CID 13333920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).