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

C22H20Cl2 — CID 164887651

IUPAC1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
SMILESCC(C)=C1C(=C(C)C)C(c2ccc(Cl)cc2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2/c1-13(2)19-20(14(3)4)22(16-7-11-18(24)12-8-16)21(19)15-5-9-17(23)10-6-15/h5-12H,1-4H3
InChIKeyVCSGJIYGFTWINQ-UHFFFAOYSA-N
MW355.31 g/mol
LogP7.59
Rot. Bonds2

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

1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene (PubChem CID 164887651) has the molecular formula C22H20Cl2 and a molecular weight of 355.31 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
PubChem CID164887651
Molecular FormulaC22H20Cl2
Molecular Weight355.31 g/mol
Exact Mass354.09
IUPAC Name1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
SMILESCC(C)=C1C(=C(C)C)C(c2ccc(Cl)cc2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2/c1-13(2)19-20(14(3)4)22(16-7-11-18(24)12-8-16)21(19)15-5-9-17(23)10-6-15/h5-12H,1-4H3
InChIKeyVCSGJIYGFTWINQ-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.31
LogP ≤ 57.59
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-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
CID 164887648
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
1-chloro-4-methylbenzene;zinc
CID 174694335
2,5-bis(4-chlorophenyl)thiophene
CID 3588046
azane;1,4-dichlorobenzene
CID 69330361
5-(4-chlorophenyl)-4-hydroxy-1-methylpyridine-2,3,6-trione
CID 101230766
[(4-chlorophenyl)-(4-methylphenyl)methylidene]zirconium(2+)
CID 87101615
4-(4-chlorophenyl)-1-methylpyridin-1-ium
CID 24799632
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
1-chloro-4-methylbenzene;formic acid
CID 158103199
4-(4-chlorophenyl)benzoyl iodide
CID 90184448

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
The IUPAC name of 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene (CID 164887651) is 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene is CC(C)=C1C(=C(C)C)C(c2ccc(Cl)cc2)=C1c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
The InChIKey is VCSGJIYGFTWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2/c1-13(2)19-20(14(3)4)22(16-7-11-18(24)12-8-16)21(19)15-5-9-17(23)10-6-15/h5-12H,1-4H3.
What are the key properties of 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene?
1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene has a molecular weight of 355.31 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene is sourced from PubChem (CID 164887651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).