1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene

C19H20 — CID 88722468

IUPAC1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene
SMILESCc1ccccc1C1=CCC1(C)c1ccccc1C
InChIInChI=1S/C19H20/c1-14-8-4-6-10-16(14)18-12-13-19(18,3)17-11-7-5-9-15(17)2/h4-12H,13H2,1-3H3
InChIKeyBQVTWUYPZSWQTJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.05
Rot. Bonds2

About 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene

1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene (PubChem CID 88722468) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene
PubChem CID88722468
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene
SMILESCc1ccccc1C1=CCC1(C)c1ccccc1C
InChIInChI=1S/C19H20/c1-14-8-4-6-10-16(14)18-12-13-19(18,3)17-11-7-5-9-15(17)2/h4-12H,13H2,1-3H3
InChIKeyBQVTWUYPZSWQTJ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene?
The IUPAC name of 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene (CID 88722468) is 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene.
What is the SMILES notation for 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene?
The canonical SMILES for 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene is Cc1ccccc1C1=CCC1(C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene?
The InChIKey is BQVTWUYPZSWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-14-8-4-6-10-16(14)18-12-13-19(18,3)17-11-7-5-9-15(17)2/h4-12H,13H2,1-3H3.
What are the key properties of 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene?
1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene is sourced from PubChem (CID 88722468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).