5-(4-methoxyphenyl)-2,3-diphenylthiophene

C23H18OS — CID 54091294

IUPAC5-(4-methoxyphenyl)-2,3-diphenylthiophene
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H18OS/c1-24-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(25-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyMUAUWFOFPQOSSQ-UHFFFAOYSA-N
MW342.46 g/mol
LogP6.76
Rot. Bonds4

About 5-(4-methoxyphenyl)-2,3-diphenylthiophene

5-(4-methoxyphenyl)-2,3-diphenylthiophene (PubChem CID 54091294) has the molecular formula C23H18OS and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,3-diphenylthiophene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,3-diphenylthiophene
PubChem CID54091294
Molecular FormulaC23H18OS
Molecular Weight342.46 g/mol
Exact Mass342.11
IUPAC Name5-(4-methoxyphenyl)-2,3-diphenylthiophene
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C23H18OS/c1-24-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(25-22)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyMUAUWFOFPQOSSQ-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,3-diphenylthiophene?
The IUPAC name of 5-(4-methoxyphenyl)-2,3-diphenylthiophene (CID 54091294) is 5-(4-methoxyphenyl)-2,3-diphenylthiophene.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,3-diphenylthiophene?
The canonical SMILES for 5-(4-methoxyphenyl)-2,3-diphenylthiophene is COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,3-diphenylthiophene?
The InChIKey is MUAUWFOFPQOSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18OS/c1-24-20-14-12-18(13-15-20)22-16-21(17-8-4-2-5-9-17)23(25-22)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2,3-diphenylthiophene?
5-(4-methoxyphenyl)-2,3-diphenylthiophene has a molecular weight of 342.46 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,3-diphenylthiophene is sourced from PubChem (CID 54091294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).