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

C18H15ClS — CID 86098596

IUPAC4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
SMILESCc1ccc(-c2sc(-c3ccccc3)c(Cl)c2C)cc1
InChIInChI=1S/C18H15ClS/c1-12-8-10-15(11-9-12)17-13(2)16(19)18(20-17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyFCCXURYRVRHMKB-UHFFFAOYSA-N
MW298.84 g/mol
LogP6.35
Rot. Bonds2

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

4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene (PubChem CID 86098596) has the molecular formula C18H15ClS and a molecular weight of 298.84 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene.

Molecular Properties

Compound Name4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
PubChem CID86098596
Molecular FormulaC18H15ClS
Molecular Weight298.84 g/mol
Exact Mass298.06
IUPAC Name4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
SMILESCc1ccc(-c2sc(-c3ccccc3)c(Cl)c2C)cc1
InChIInChI=1S/C18H15ClS/c1-12-8-10-15(11-9-12)17-13(2)16(19)18(20-17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyFCCXURYRVRHMKB-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.84
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
3-bromo-4-methyl-2,5-diphenylthiophene
CID 89479588
2-chloro-4-methyl-5-phenylthiophen-3-amine
CID 114749336
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
4,6,10,12-tetraphenyl-2,5,8,11-tetrathiatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraene
CID 177405834
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene?
The IUPAC name of 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene (CID 86098596) is 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene.
What is the SMILES notation for 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene?
The canonical SMILES for 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene is Cc1ccc(-c2sc(-c3ccccc3)c(Cl)c2C)cc1.
What is the InChIKey of 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene?
The InChIKey is FCCXURYRVRHMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClS/c1-12-8-10-15(11-9-12)17-13(2)16(19)18(20-17)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene?
4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene has a molecular weight of 298.84 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene is sourced from PubChem (CID 86098596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).