1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene

C20H18O2S — CID 154510274

IUPAC1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene
SMILESC=CC(=CS(=O)(=O)C=C(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O2S/c1-3-17(19-11-7-5-8-12-19)15-23(21,22)16-18(4-2)20-13-9-6-10-14-20/h3-16H,1-2H2
InChIKeyJYEUJOCIGDITHK-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.86
Rot. Bonds6

About 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene

1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene (PubChem CID 154510274) has the molecular formula C20H18O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene.

Molecular Properties

Compound Name1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene
PubChem CID154510274
Molecular FormulaC20H18O2S
Molecular Weight322.43 g/mol
Exact Mass322.10
IUPAC Name1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene
SMILESC=CC(=CS(=O)(=O)C=C(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O2S/c1-3-17(19-11-7-5-8-12-19)15-23(21,22)16-18(4-2)20-13-9-6-10-14-20/h3-16H,1-2H2
InChIKeyJYEUJOCIGDITHK-UHFFFAOYSA-N
XLogP4.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene?
The IUPAC name of 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene (CID 154510274) is 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene.
What is the SMILES notation for 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene?
The canonical SMILES for 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene is C=CC(=CS(=O)(=O)C=C(C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene?
The InChIKey is JYEUJOCIGDITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2S/c1-3-17(19-11-7-5-8-12-19)15-23(21,22)16-18(4-2)20-13-9-6-10-14-20/h3-16H,1-2H2.
What are the key properties of 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene?
1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene has a molecular weight of 322.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene is sourced from PubChem (CID 154510274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).