2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene

C20H18S — CID 4593974

IUPAC2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene
SMILESCc1cc2c(s1)CCC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18S/c1-15-14-18-19(21-15)12-13-20(18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3
InChIKeyJZGXBQHHYDWSRY-UHFFFAOYSA-N
MW290.43 g/mol
LogP5.34
Rot. Bonds2

About 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene

2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene (PubChem CID 4593974) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene
PubChem CID4593974
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene
SMILESCc1cc2c(s1)CCC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18S/c1-15-14-18-19(21-15)12-13-20(18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3
InChIKeyJZGXBQHHYDWSRY-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene?
The IUPAC name of 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene (CID 4593974) is 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene.
What is the SMILES notation for 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene?
The canonical SMILES for 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene is Cc1cc2c(s1)CCC2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene?
The InChIKey is JZGXBQHHYDWSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-15-14-18-19(21-15)12-13-20(18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3.
What are the key properties of 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene?
2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene has a molecular weight of 290.43 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4-diphenyl-5,6-dihydrocyclopenta[b]thiophene is sourced from PubChem (CID 4593974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).