1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene

C18H18S — CID 22917345

IUPAC1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene
SMILESCSc1ccc(C2=C(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H18S/c1-19-16-12-10-15(11-13-16)18-9-5-8-17(18)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyFJDQQZFSTCNJMU-UHFFFAOYSA-N
MW266.41 g/mol
LogP5.50
Rot. Bonds3

About 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene

1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene (PubChem CID 22917345) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene
PubChem CID22917345
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene
SMILESCSc1ccc(C2=C(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H18S/c1-19-16-12-10-15(11-13-16)18-9-5-8-17(18)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyFJDQQZFSTCNJMU-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene?
The IUPAC name of 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene (CID 22917345) is 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene.
What is the SMILES notation for 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene?
The canonical SMILES for 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene is CSc1ccc(C2=C(c3ccccc3)CCC2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene?
The InChIKey is FJDQQZFSTCNJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S/c1-19-16-12-10-15(11-13-16)18-9-5-8-17(18)14-6-3-2-4-7-14/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene?
1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene has a molecular weight of 266.41 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene is sourced from PubChem (CID 22917345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).