1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene

C20H24 — CID 21107287

IUPAC1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
SMILESCc1ccc(C(=CCC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24/c1-15(2)5-14-20(18-10-6-16(3)7-11-18)19-12-8-17(4)9-13-19/h6-15H,5H2,1-4H3
InChIKeyAHHYJZNLAFVAHN-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.78
Rot. Bonds4

About 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene

1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene (PubChem CID 21107287) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
PubChem CID21107287
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
SMILESCc1ccc(C(=CCC(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H24/c1-15(2)5-14-20(18-10-6-16(3)7-11-18)19-12-8-17(4)9-13-19/h6-15H,5H2,1-4H3
InChIKeyAHHYJZNLAFVAHN-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene (CID 21107287) is 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene is Cc1ccc(C(=CCC(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene?
The InChIKey is AHHYJZNLAFVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-15(2)5-14-20(18-10-6-16(3)7-11-18)19-12-8-17(4)9-13-19/h6-15H,5H2,1-4H3.
What are the key properties of 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene?
1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene has a molecular weight of 264.41 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene is sourced from PubChem (CID 21107287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).