1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide

C19H16OS — CID 101068620

IUPAC1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide
SMILESO=S1C(c2ccccc2)=C2CCCC2=C1c1ccccc1
InChIInChI=1S/C19H16OS/c20-21-18(14-8-3-1-4-9-14)16-12-7-13-17(16)19(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeySSFYCDMYQSALJU-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.76
Rot. Bonds2

About 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide

1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide (PubChem CID 101068620) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide.

Molecular Properties

Compound Name1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide
PubChem CID101068620
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide
SMILESO=S1C(c2ccccc2)=C2CCCC2=C1c1ccccc1
InChIInChI=1S/C19H16OS/c20-21-18(14-8-3-1-4-9-14)16-12-7-13-17(16)19(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeySSFYCDMYQSALJU-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diphenylcyclohex-2-en-1-one
CID 2748361
(1Z)-1,2-diphenylcyclododecene
CID 5378897
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CID 22917403
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
2,2-dimethyl-1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]germole
CID 101070041
1,1'-biphenyl;cycloheptane
CID 174877368
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CID 14737118
2,6-difluoro-4-(2-phenylcyclopenten-1-yl)benzenesulfonamide
CID 22746653
1-methylsulfanyl-4-(2-phenylcyclopenten-1-yl)benzene
CID 22917345
2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351
N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
CID 11440319
4-(4-methylphenyl)sulfonyl-9-phenyl-2,3-dihydro-1H-fluorene
CID 132509234

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide?
The IUPAC name of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide (CID 101068620) is 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide.
What is the SMILES notation for 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide?
The canonical SMILES for 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide is O=S1C(c2ccccc2)=C2CCCC2=C1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide?
The InChIKey is SSFYCDMYQSALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-21-18(14-8-3-1-4-9-14)16-12-7-13-17(16)19(21)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide?
1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide has a molecular weight of 292.40 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5,6-dihydro-4H-cyclopenta[c]thiophene 2-oxide is sourced from PubChem (CID 101068620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).