4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran

C19H16O — CID 142397321

IUPAC4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
SMILESCC1=CC(c2cccc3c2oc2ccccc23)CC=C1
InChIInChI=1S/C19H16O/c1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17/h2-6,8-12,14H,7H2,1H3
InChIKeyFUHNVVMBZLIBSD-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.58
Rot. Bonds1

About 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran

4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran (PubChem CID 142397321) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran.

Molecular Properties

Compound Name4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
PubChem CID142397321
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
SMILESCC1=CC(c2cccc3c2oc2ccccc23)CC=C1
InChIInChI=1S/C19H16O/c1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17/h2-6,8-12,14H,7H2,1H3
InChIKeyFUHNVVMBZLIBSD-UHFFFAOYSA-N
XLogP5.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
CID 144831127
4-(3,5,6-trimethylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 146532214
2-dibenzofuran-4-yl-1,5-dimethyl-2H-pyridine
CID 144831133
2-dibenzofuran-4-yl-1-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2H-pyridine
CID 145051701
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
2-dibenzofuran-4-yl-2H-pyrrole
CID 71047554
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-2-(1,2-dihydrodibenzothiophen-4-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 146431221
N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine
CID 167067495
10-methyl-9-(3-methyldibenzofuran-4-yl)-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 162296037

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran?
The IUPAC name of 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran (CID 142397321) is 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran.
What is the SMILES notation for 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran?
The canonical SMILES for 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran is CC1=CC(c2cccc3c2oc2ccccc23)CC=C1.
What is the InChIKey of 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran?
The InChIKey is FUHNVVMBZLIBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17/h2-6,8-12,14H,7H2,1H3.
What are the key properties of 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran?
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran has a molecular weight of 260.34 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran is sourced from PubChem (CID 142397321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).