2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene

C25H21FS — CID 122221806

IUPAC2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene
SMILESCc1ccccc1Cc1cc(-c2ccccc2C)sc1-c1ccc(F)cc1
InChIInChI=1S/C25H21FS/c1-17-7-3-5-9-20(17)15-21-16-24(23-10-6-4-8-18(23)2)27-25(21)19-11-13-22(26)14-12-19/h3-14,16H,15H2,1-2H3
InChIKeyMNHARUPWSCPJFT-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.43
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene

2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene (PubChem CID 122221806) has the molecular formula C25H21FS and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene
PubChem CID122221806
Molecular FormulaC25H21FS
Molecular Weight372.51 g/mol
Exact Mass372.13
IUPAC Name2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene
SMILESCc1ccccc1Cc1cc(-c2ccccc2C)sc1-c1ccc(F)cc1
InChIInChI=1S/C25H21FS/c1-17-7-3-5-9-20(17)15-21-16-24(23-10-6-4-8-18(23)2)27-25(21)19-11-13-22(26)14-12-19/h3-14,16H,15H2,1-2H3
InChIKeyMNHARUPWSCPJFT-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene (CID 122221806) is 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene is Cc1ccccc1Cc1cc(-c2ccccc2C)sc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene?
The InChIKey is MNHARUPWSCPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FS/c1-17-7-3-5-9-20(17)15-21-16-24(23-10-6-4-8-18(23)2)27-25(21)19-11-13-22(26)14-12-19/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene?
2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene has a molecular weight of 372.51 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]thiophene is sourced from PubChem (CID 122221806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).