2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene

C24H19ClOS — CID 86341887

IUPAC2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene
SMILESCOc1c(-c2cccc(C)c2)sc(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C24H19ClOS/c1-16-7-6-10-19(15-16)24-22(26-2)21(17-8-4-3-5-9-17)23(27-24)18-11-13-20(25)14-12-18/h3-15H,1-2H3
InChIKeyVUMTYEMOCRUIQJ-UHFFFAOYSA-N
MW390.94 g/mol
LogP7.72
Rot. Bonds4

About 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene

2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene (PubChem CID 86341887) has the molecular formula C24H19ClOS and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene
PubChem CID86341887
Molecular FormulaC24H19ClOS
Molecular Weight390.94 g/mol
Exact Mass390.08
IUPAC Name2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene
SMILESCOc1c(-c2cccc(C)c2)sc(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C24H19ClOS/c1-16-7-6-10-19(15-16)24-22(26-2)21(17-8-4-3-5-9-17)23(27-24)18-11-13-20(25)14-12-18/h3-15H,1-2H3
InChIKeyVUMTYEMOCRUIQJ-UHFFFAOYSA-N
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-(3,4-difluorophenyl)-4-(4-fluorophenyl)-3-(4-methoxyphenyl)-5-phenylthiophene
CID 141206088
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
butane;1-chloro-4-(3-methylphenyl)benzene
CID 143529938
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
5-chloro-2,3-diphenyl-1-benzothiophene
CID 13027063
6-methyl-2,3-diphenyl-1-benzothiophene
CID 13027057
4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
CID 54577902
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene?
The IUPAC name of 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene (CID 86341887) is 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene?
The canonical SMILES for 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene is COc1c(-c2cccc(C)c2)sc(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene?
The InChIKey is VUMTYEMOCRUIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClOS/c1-16-7-6-10-19(15-16)24-22(26-2)21(17-8-4-3-5-9-17)23(27-24)18-11-13-20(25)14-12-18/h3-15H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene?
2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene has a molecular weight of 390.94 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene is sourced from PubChem (CID 86341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).