1-ethenyl-4-(4-methylphenyl)benzene;hexane

C21H28 — CID 142178486

IUPAC1-ethenyl-4-(4-methylphenyl)benzene;hexane
SMILESC=Cc1ccc(-c2ccc(C)cc2)cc1.CCCCCC
InChIInChI=1S/C15H14.C6H14/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-3-5-6-4-2/h3-11H,1H2,2H3;3-6H2,1-2H3
InChIKeyVYDZVHZWONJQGJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.89
Rot. Bonds5

About 1-ethenyl-4-(4-methylphenyl)benzene;hexane

1-ethenyl-4-(4-methylphenyl)benzene;hexane (PubChem CID 142178486) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-ethenyl-4-(4-methylphenyl)benzene;hexane.

Molecular Properties

Compound Name1-ethenyl-4-(4-methylphenyl)benzene;hexane
PubChem CID142178486
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name1-ethenyl-4-(4-methylphenyl)benzene;hexane
SMILESC=Cc1ccc(-c2ccc(C)cc2)cc1.CCCCCC
InChIInChI=1S/C15H14.C6H14/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-3-5-6-4-2/h3-11H,1H2,2H3;3-6H2,1-2H3
InChIKeyVYDZVHZWONJQGJ-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-(4-methylphenyl)benzene;hexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(4-methylphenyl)benzene;hexane?
The IUPAC name of 1-ethenyl-4-(4-methylphenyl)benzene;hexane (CID 142178486) is 1-ethenyl-4-(4-methylphenyl)benzene;hexane.
What is the SMILES notation for 1-ethenyl-4-(4-methylphenyl)benzene;hexane?
The canonical SMILES for 1-ethenyl-4-(4-methylphenyl)benzene;hexane is C=Cc1ccc(-c2ccc(C)cc2)cc1.CCCCCC.
What is the InChIKey of 1-ethenyl-4-(4-methylphenyl)benzene;hexane?
The InChIKey is VYDZVHZWONJQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.C6H14/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-3-5-6-4-2/h3-11H,1H2,2H3;3-6H2,1-2H3.
What are the key properties of 1-ethenyl-4-(4-methylphenyl)benzene;hexane?
1-ethenyl-4-(4-methylphenyl)benzene;hexane has a molecular weight of 280.46 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(4-methylphenyl)benzene;hexane is sourced from PubChem (CID 142178486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).