2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran

C22H22O — CID 91059261

IUPAC2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran
SMILESC=C(C=CC(C)=CC(C)C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H22O/c1-15(2)13-16(3)9-10-17(4)18-11-12-22-20(14-18)19-7-5-6-8-21(19)23-22/h5-15H,4H2,1-3H3
InChIKeyXLHOZWIXJMBYCA-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.76
Rot. Bonds4

About 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran

2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran (PubChem CID 91059261) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran
PubChem CID91059261
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran
SMILESC=C(C=CC(C)=CC(C)C)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H22O/c1-15(2)13-16(3)9-10-17(4)18-11-12-22-20(14-18)19-7-5-6-8-21(19)23-22/h5-15H,4H2,1-3H3
InChIKeyXLHOZWIXJMBYCA-UHFFFAOYSA-N
XLogP6.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-prop-1-en-2-yldibenzofuran
CID 142504770
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
CID 163980863
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
CID 144541208
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
2-[(1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]dibenzofuran
CID 166909964
9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
CID 135258643
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
2-[(2E,4Z)-6-(10-naphthalen-1-ylanthracen-9-yl)hepta-2,4,6-trien-3-yl]dibenzofuran
CID 166909871
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran?
The IUPAC name of 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran (CID 91059261) is 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran.
What is the SMILES notation for 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran?
The canonical SMILES for 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran is C=C(C=CC(C)=CC(C)C)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran?
The InChIKey is XLHOZWIXJMBYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c1-15(2)13-16(3)9-10-17(4)18-11-12-22-20(14-18)19-7-5-6-8-21(19)23-22/h5-15H,4H2,1-3H3.
What are the key properties of 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran?
2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran has a molecular weight of 302.42 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethylocta-1,3,5-trien-2-yl)dibenzofuran is sourced from PubChem (CID 91059261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).