6-methyl-5-phenylcyclopenta[b]thiophen-4-one

C14H10OS — CID 15618706

IUPAC6-methyl-5-phenylcyclopenta[b]thiophen-4-one
SMILESCC1=C(c2ccccc2)C(=O)c2ccsc21
InChIInChI=1S/C14H10OS/c1-9-12(10-5-3-2-4-6-10)13(15)11-7-8-16-14(9)11/h2-8H,1H3
InChIKeyPKWHYWHIWQUORU-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.88
Rot. Bonds1

About 6-methyl-5-phenylcyclopenta[b]thiophen-4-one

6-methyl-5-phenylcyclopenta[b]thiophen-4-one (PubChem CID 15618706) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 6-methyl-5-phenylcyclopenta[b]thiophen-4-one.

Molecular Properties

Compound Name6-methyl-5-phenylcyclopenta[b]thiophen-4-one
PubChem CID15618706
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name6-methyl-5-phenylcyclopenta[b]thiophen-4-one
SMILESCC1=C(c2ccccc2)C(=O)c2ccsc21
InChIInChI=1S/C14H10OS/c1-9-12(10-5-3-2-4-6-10)13(15)11-7-8-16-14(9)11/h2-8H,1H3
InChIKeyPKWHYWHIWQUORU-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-5-phenylcyclopenta[b]thiophen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenylcyclopenta[b]thiophen-4-one?
The IUPAC name of 6-methyl-5-phenylcyclopenta[b]thiophen-4-one (CID 15618706) is 6-methyl-5-phenylcyclopenta[b]thiophen-4-one.
What is the SMILES notation for 6-methyl-5-phenylcyclopenta[b]thiophen-4-one?
The canonical SMILES for 6-methyl-5-phenylcyclopenta[b]thiophen-4-one is CC1=C(c2ccccc2)C(=O)c2ccsc21.
What is the InChIKey of 6-methyl-5-phenylcyclopenta[b]thiophen-4-one?
The InChIKey is PKWHYWHIWQUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c1-9-12(10-5-3-2-4-6-10)13(15)11-7-8-16-14(9)11/h2-8H,1H3.
What are the key properties of 6-methyl-5-phenylcyclopenta[b]thiophen-4-one?
6-methyl-5-phenylcyclopenta[b]thiophen-4-one has a molecular weight of 226.30 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenylcyclopenta[b]thiophen-4-one is sourced from PubChem (CID 15618706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).