2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene

C15H14S — CID 11287706

IUPAC2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene
SMILESCC1=Cc2sc(C)c(-c3ccccc3)c2C1
InChIInChI=1S/C15H14S/c1-10-8-13-14(9-10)16-11(2)15(13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyKEUCVFWXEBYDEZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.68
Rot. Bonds1

About 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene

2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene (PubChem CID 11287706) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene
PubChem CID11287706
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene
SMILESCC1=Cc2sc(C)c(-c3ccccc3)c2C1
InChIInChI=1S/C15H14S/c1-10-8-13-14(9-10)16-11(2)15(13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyKEUCVFWXEBYDEZ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene?
The IUPAC name of 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene (CID 11287706) is 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene?
The canonical SMILES for 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene is CC1=Cc2sc(C)c(-c3ccccc3)c2C1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene?
The InChIKey is KEUCVFWXEBYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-10-8-13-14(9-10)16-11(2)15(13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene?
2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene has a molecular weight of 226.34 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 11287706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).