4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene

C17H12Cl2S — CID 86098601

IUPAC4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
SMILESCc1c(-c2ccc(Cl)cc2)sc(-c2ccccc2)c1Cl
InChIInChI=1S/C17H12Cl2S/c1-11-15(19)17(12-5-3-2-4-6-12)20-16(11)13-7-9-14(18)10-8-13/h2-10H,1H3
InChIKeyRCDRXLGGTOEKSE-UHFFFAOYSA-N
MW319.26 g/mol
LogP6.70
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene

4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene (PubChem CID 86098601) has the molecular formula C17H12Cl2S and a molecular weight of 319.26 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
PubChem CID86098601
Molecular FormulaC17H12Cl2S
Molecular Weight319.26 g/mol
Exact Mass318.00
IUPAC Name4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
SMILESCc1c(-c2ccc(Cl)cc2)sc(-c2ccccc2)c1Cl
InChIInChI=1S/C17H12Cl2S/c1-11-15(19)17(12-5-3-2-4-6-12)20-16(11)13-7-9-14(18)10-8-13/h2-10H,1H3
InChIKeyRCDRXLGGTOEKSE-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.26
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
CID 86098596
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
3-bromo-4-methyl-2,5-diphenylthiophene
CID 89479588
2-chloro-4-methyl-5-phenylthiophen-3-amine
CID 114749336
2-(4-chlorophenyl)-4-methoxy-5-(3-methylphenyl)-3-phenylthiophene
CID 86341887
4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 177405834
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
1-chloro-4-phenylbenzene;ethanamine
CID 174641678
1-chloro-4-phenylbenzene;methyl formate
CID 175142329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene (CID 86098601) is 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene is Cc1c(-c2ccc(Cl)cc2)sc(-c2ccccc2)c1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene?
The InChIKey is RCDRXLGGTOEKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2S/c1-11-15(19)17(12-5-3-2-4-6-12)20-16(11)13-7-9-14(18)10-8-13/h2-10H,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene?
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene has a molecular weight of 319.26 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene is sourced from PubChem (CID 86098601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).