2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene

C16H18S — CID 90963647

IUPAC2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene
SMILESC=c1cc(-c2ccc(CC(C)C)cc2)sc1=C
InChIInChI=1S/C16H18S/c1-11(2)9-14-5-7-15(8-6-14)16-10-12(3)13(4)17-16/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyJFFXKQUIZJGBOY-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.43
Rot. Bonds3

About 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene

2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene (PubChem CID 90963647) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene.

Molecular Properties

Compound Name2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene
PubChem CID90963647
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene
SMILESC=c1cc(-c2ccc(CC(C)C)cc2)sc1=C
InChIInChI=1S/C16H18S/c1-11(2)9-14-5-7-15(8-6-14)16-10-12(3)13(4)17-16/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyJFFXKQUIZJGBOY-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene?
The IUPAC name of 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene (CID 90963647) is 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene.
What is the SMILES notation for 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene?
The canonical SMILES for 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene is C=c1cc(-c2ccc(CC(C)C)cc2)sc1=C.
What is the InChIKey of 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene?
The InChIKey is JFFXKQUIZJGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-11(2)9-14-5-7-15(8-6-14)16-10-12(3)13(4)17-16/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene?
2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene has a molecular weight of 242.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-5-[4-(2-methylpropyl)phenyl]thiophene is sourced from PubChem (CID 90963647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).