2-methyl-6-(4-methylphenyl)dibenzofuran

C20H16O — CID 134235595

IUPAC2-methyl-6-(4-methylphenyl)dibenzofuran
SMILESCc1ccc(-c2cccc3c2oc2ccc(C)cc23)cc1
InChIInChI=1S/C20H16O/c1-13-6-9-15(10-7-13)16-4-3-5-17-18-12-14(2)8-11-19(18)21-20(16)17/h3-12H,1-2H3
InChIKeyLOFJVYWUJXEGQN-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.87
Rot. Bonds1

About 2-methyl-6-(4-methylphenyl)dibenzofuran

2-methyl-6-(4-methylphenyl)dibenzofuran (PubChem CID 134235595) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)dibenzofuran.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)dibenzofuran
PubChem CID134235595
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name2-methyl-6-(4-methylphenyl)dibenzofuran
SMILESCc1ccc(-c2cccc3c2oc2ccc(C)cc23)cc1
InChIInChI=1S/C20H16O/c1-13-6-9-15(10-7-13)16-4-3-5-17-18-12-14(2)8-11-19(18)21-20(16)17/h3-12H,1-2H3
InChIKeyLOFJVYWUJXEGQN-UHFFFAOYSA-N
XLogP5.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)dibenzofuran?
The IUPAC name of 2-methyl-6-(4-methylphenyl)dibenzofuran (CID 134235595) is 2-methyl-6-(4-methylphenyl)dibenzofuran.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)dibenzofuran?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)dibenzofuran is Cc1ccc(-c2cccc3c2oc2ccc(C)cc23)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)dibenzofuran?
The InChIKey is LOFJVYWUJXEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-13-6-9-15(10-7-13)16-4-3-5-17-18-12-14(2)8-11-19(18)21-20(16)17/h3-12H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)dibenzofuran?
2-methyl-6-(4-methylphenyl)dibenzofuran has a molecular weight of 272.35 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)dibenzofuran is sourced from PubChem (CID 134235595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).