2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene

C19H20 — CID 173274077

IUPAC2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
SMILESCc1ccc(C=CC=Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H20/c1-15-8-11-18(12-9-15)6-4-5-7-19-13-10-16(2)14-17(19)3/h4-14H,1-3H3
InChIKeyDFBNRVMTLHCZSN-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.34
Rot. Bonds3

About 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene

2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene (PubChem CID 173274077) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
PubChem CID173274077
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene
SMILESCc1ccc(C=CC=Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H20/c1-15-8-11-18(12-9-15)6-4-5-7-19-13-10-16(2)14-17(19)3/h4-14H,1-3H3
InChIKeyDFBNRVMTLHCZSN-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;methane
CID 161062923
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
1-(2-chloroethenyl)-2,4-dimethylbenzene
CID 54480012
4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2-methyl-N,N-bis(4-methylphenyl)aniline
CID 58841592
2-[2-[4-[2-(2,5-dimethylphenyl)ethenyl]phenyl]ethenyl]-1,4-dimethylbenzene
CID 71374373
1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 102074694

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene (CID 173274077) is 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene is Cc1ccc(C=CC=Cc2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene?
The InChIKey is DFBNRVMTLHCZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-15-8-11-18(12-9-15)6-4-5-7-19-13-10-16(2)14-17(19)3/h4-14H,1-3H3.
What are the key properties of 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene?
2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-(4-methylphenyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 173274077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).