2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene

C18H14Cl2S — CID 132562054

IUPAC2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene
SMILESCc1cc(C)cc(-c2csc(-c3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C18H14Cl2S/c1-11-5-12(2)7-14(6-11)15-9-18(21-10-15)13-3-4-16(19)17(20)8-13/h3-10H,1-2H3
InChIKeyCXRNQAIPMZFNFN-UHFFFAOYSA-N
MW333.28 g/mol
LogP7.01
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene

2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene (PubChem CID 132562054) has the molecular formula C18H14Cl2S and a molecular weight of 333.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene
PubChem CID132562054
Molecular FormulaC18H14Cl2S
Molecular Weight333.28 g/mol
Exact Mass332.02
IUPAC Name2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene
SMILESCc1cc(C)cc(-c2csc(-c3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C18H14Cl2S/c1-11-5-12(2)7-14(6-11)15-9-18(21-10-15)13-3-4-16(19)17(20)8-13/h3-10H,1-2H3
InChIKeyCXRNQAIPMZFNFN-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-5-methylaniline
CID 107579512
[2-chloro-5-(4-methylthiophen-2-yl)phenyl]methanol
CID 172650124
2-chloro-4-(4-methylthiophen-2-yl)benzoic acid
CID 53445529
4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene
CID 174720153
5-(3,4-dichlorophenyl)-1,3-thiazole
CID 76539858
2-(3-chlorophenyl)-4-methylthiophene
CID 173145539
2-chloro-4-(4-methylphenyl)thiophene
CID 13237968
2-(3,4-dichlorophenyl)-3-methylthiophene
CID 18715818
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
4-bromo-2-(3-chloro-4-fluorophenyl)thiophene
CID 132562046
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
CID 129318156

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene (CID 132562054) is 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene is Cc1cc(C)cc(-c2csc(-c3ccc(Cl)c(Cl)c3)c2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene?
The InChIKey is CXRNQAIPMZFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2S/c1-11-5-12(2)7-14(6-11)15-9-18(21-10-15)13-3-4-16(19)17(20)8-13/h3-10H,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene?
2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene has a molecular weight of 333.28 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene is sourced from PubChem (CID 132562054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).