1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene

C23H22S — CID 141388194

IUPAC1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene
SMILESCSc1ccc(C=C(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H22S/c1-24-23-14-12-21(13-15-23)18-22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3
InChIKeyWAAIVWBOSOXBBL-UHFFFAOYSA-N
MW330.50 g/mol
LogP6.28
Rot. Bonds6

About 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene

1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene (PubChem CID 141388194) has the molecular formula C23H22S and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene
PubChem CID141388194
Molecular FormulaC23H22S
Molecular Weight330.50 g/mol
Exact Mass330.14
IUPAC Name1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene
SMILESCSc1ccc(C=C(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C23H22S/c1-24-23-14-12-21(13-15-23)18-22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3
InChIKeyWAAIVWBOSOXBBL-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene?
The IUPAC name of 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene (CID 141388194) is 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene is CSc1ccc(C=C(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene?
The InChIKey is WAAIVWBOSOXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22S/c1-24-23-14-12-21(13-15-23)18-22(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3.
What are the key properties of 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene?
1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene has a molecular weight of 330.50 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-phenylprop-1-enyl)-4-methylsulfanylbenzene is sourced from PubChem (CID 141388194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).