1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene

C22H26 — CID 15247721

IUPAC1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
SMILESC=C(CCCCC(=C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-17-9-13-21(14-10-17)19(3)7-5-6-8-20(4)22-15-11-18(2)12-16-22/h9-16H,3-8H2,1-2H3
InChIKeyIAXHPRYDGXELBG-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.59
Rot. Bonds7

About 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene

1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene (PubChem CID 15247721) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
PubChem CID15247721
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
SMILESC=C(CCCCC(=C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H26/c1-17-9-13-21(14-10-17)19(3)7-5-6-8-20(4)22-15-11-18(2)12-16-22/h9-16H,3-8H2,1-2H3
InChIKeyIAXHPRYDGXELBG-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biphenyl
CID 7095
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
M-Terphenyl
CID 7076

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene?
The IUPAC name of 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene (CID 15247721) is 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene is C=C(CCCCC(=C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene?
The InChIKey is IAXHPRYDGXELBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-17-9-13-21(14-10-17)19(3)7-5-6-8-20(4)22-15-11-18(2)12-16-22/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene?
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene has a molecular weight of 290.45 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene is sourced from PubChem (CID 15247721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).