4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene

C18H18S2 — CID 20607074

IUPAC4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene
SMILESCc1cc(-c2cc(C)c(C)cc2-c2csc(C)c2)cs1
InChIInChI=1S/C18H18S2/c1-11-5-17(15-7-13(3)19-9-15)18(6-12(11)2)16-8-14(4)20-10-16/h5-10H,1-4H3
InChIKeyMIROFNMBTOBRRM-UHFFFAOYSA-N
MW298.48 g/mol
LogP6.38
Rot. Bonds2

About 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene

4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene (PubChem CID 20607074) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene.

Molecular Properties

Compound Name4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene
PubChem CID20607074
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene
SMILESCc1cc(-c2cc(C)c(C)cc2-c2csc(C)c2)cs1
InChIInChI=1S/C18H18S2/c1-11-5-17(15-7-13(3)19-9-15)18(6-12(11)2)16-8-14(4)20-10-16/h5-10H,1-4H3
InChIKeyMIROFNMBTOBRRM-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene?
The IUPAC name of 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene (CID 20607074) is 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene.
What is the SMILES notation for 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene?
The canonical SMILES for 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene is Cc1cc(-c2cc(C)c(C)cc2-c2csc(C)c2)cs1.
What is the InChIKey of 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene?
The InChIKey is MIROFNMBTOBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S2/c1-11-5-17(15-7-13(3)19-9-15)18(6-12(11)2)16-8-14(4)20-10-16/h5-10H,1-4H3.
What are the key properties of 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene?
4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene has a molecular weight of 298.48 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dimethyl-2-(5-methylthiophen-3-yl)phenyl]-2-methylthiophene is sourced from PubChem (CID 20607074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).