4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran

C21H20O — CID 146532214

IUPAC4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
SMILESCC1=CC(c2cccc3c2oc2ccccc23)C(C)C(C)=C1
InChIInChI=1S/C21H20O/c1-13-11-14(2)15(3)19(12-13)18-9-6-8-17-16-7-4-5-10-20(16)22-21(17)18/h4-12,15,19H,1-3H3
InChIKeyGYAFQMAMGKQROQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP6.21
Rot. Bonds1

About 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran

4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran (PubChem CID 146532214) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran.

Molecular Properties

Compound Name4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
PubChem CID146532214
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
SMILESCC1=CC(c2cccc3c2oc2ccccc23)C(C)C(C)=C1
InChIInChI=1S/C21H20O/c1-13-11-14(2)15(3)19(12-13)18-9-6-8-17-16-7-4-5-10-20(16)22-21(17)18/h4-12,15,19H,1-3H3
InChIKeyGYAFQMAMGKQROQ-UHFFFAOYSA-N
XLogP6.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
CID 144831127
2-dibenzofuran-4-yl-1,5-dimethyl-2H-pyridine
CID 144831133
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
2-dibenzofuran-4-yl-2H-pyrrole
CID 71047554
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037
1-methyl-2-(3-methyldibenzofuran-4-yl)-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-2H-benzimidazole
CID 167073720
2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine
CID 145051701
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725

Frequently Asked Questions

What is the IUPAC name of 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran?
The IUPAC name of 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran (CID 146532214) is 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran.
What is the SMILES notation for 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran?
The canonical SMILES for 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran is CC1=CC(c2cccc3c2oc2ccccc23)C(C)C(C)=C1.
What is the InChIKey of 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran?
The InChIKey is GYAFQMAMGKQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-13-11-14(2)15(3)19(12-13)18-9-6-8-17-16-7-4-5-10-20(16)22-21(17)18/h4-12,15,19H,1-3H3.
What are the key properties of 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran?
4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran has a molecular weight of 288.39 g/mol, XLogP of 6.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran is sourced from PubChem (CID 146532214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).