1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene

C24H26 — CID 164887648

IUPAC1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
SMILESCC(C)=C1C(=C(C)C)C(c2ccc(C)cc2)=C1c1ccc(C)cc1
InChIInChI=1S/C24H26/c1-15(2)21-22(16(3)4)24(20-13-9-18(6)10-14-20)23(21)19-11-7-17(5)8-12-19/h7-14H,1-6H3
InChIKeyMFBFCRNHNGQWIK-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.90
Rot. Bonds2

About 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene

1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene (PubChem CID 164887648) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
PubChem CID164887648
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
SMILESCC(C)=C1C(=C(C)C)C(c2ccc(C)cc2)=C1c1ccc(C)cc1
InChIInChI=1S/C24H26/c1-15(2)21-22(16(3)4)24(20-13-9-18(6)10-14-20)23(21)19-11-7-17(5)8-12-19/h7-14H,1-6H3
InChIKeyMFBFCRNHNGQWIK-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
CID 164887651
ethane;methanol;1,4-xylene
CID 171074418
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
lithium;hydride;1,4-xylene
CID 173349078
potassium;hydride;1,4-xylene
CID 173420414
benzene;bis(1,4-xylene)
CID 159472747
(3E)-3-[1-(4-methylphenyl)ethylidene]-4-propan-2-ylideneoxolane-2,5-dione
CID 101495100
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
ethane;4-(4-methylphenyl)phenol
CID 161379556

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
The IUPAC name of 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene (CID 164887648) is 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
The canonical SMILES for 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene is CC(C)=C1C(=C(C)C)C(c2ccc(C)cc2)=C1c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
The InChIKey is MFBFCRNHNGQWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-15(2)21-22(16(3)4)24(20-13-9-18(6)10-14-20)23(21)19-11-7-17(5)8-12-19/h7-14H,1-6H3.
What are the key properties of 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene has a molecular weight of 314.47 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene is sourced from PubChem (CID 164887648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).