About 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene
2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene (PubChem CID 152732613) has the molecular formula C19H20
and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene.
Molecular Properties
| Compound Name | 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene |
| PubChem CID | 152732613 |
| Molecular Formula | C19H20 |
| Molecular Weight | 248.37 g/mol |
| Exact Mass | 248.16 |
| IUPAC Name | 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene |
| SMILES | CC=Cc1ccc(-c2ccc(C=CC)cc2C)cc1 |
| InChI | InChI=1S/C19H20/c1-4-6-16-8-11-18(12-9-16)19-13-10-17(7-5-2)14-15(19)3/h4-14H,1-3H3 |
| InChIKey | ZXYBLHLOAQXFTL-UHFFFAOYSA-N |
| XLogP | 5.73 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 248.37 |
| LogP ≤ 5 | 5.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene?
The IUPAC name of 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene (CID 152732613) is 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene.
What is the SMILES notation for 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene?
The canonical SMILES for 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene is CC=Cc1ccc(-c2ccc(C=CC)cc2C)cc1.
What is the InChIKey of 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene?
The InChIKey is ZXYBLHLOAQXFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-4-6-16-8-11-18(12-9-16)19-13-10-17(7-5-2)14-15(19)3/h4-14H,1-3H3.
What are the key properties of 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene?
2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene is sourced from PubChem (CID 152732613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).