5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone

C15H14OS — CID 43463038

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C15H14OS/c1-10-5-7-11(8-6-10)15(16)14-9-12-3-2-4-13(12)17-14/h5-9H,2-4H2,1H3
InChIKeyXEFPRINTXDGARL-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.78
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone (PubChem CID 43463038) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
PubChem CID43463038
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C15H14OS/c1-10-5-7-11(8-6-10)15(16)14-9-12-3-2-4-13(12)17-14/h5-9H,2-4H2,1H3
InChIKeyXEFPRINTXDGARL-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463390
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-methyl-3-pyridinyl)methanone
CID 115791727
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propoxyphenyl)methanone
CID 114971100
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
(4-butylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43462715
(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463780
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 65299563
(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 43463341
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463235
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352014
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626590
(3-bromo-4-methoxyphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 43463349

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone (CID 43463038) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc3c(s2)CCC3)cc1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone?
The InChIKey is XEFPRINTXDGARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-10-5-7-11(8-6-10)15(16)14-9-12-3-2-4-13(12)17-14/h5-9H,2-4H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone has a molecular weight of 242.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 43463038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).