2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene

C22H18OS — CID 102299533

IUPAC2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18OS/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)24-22(21)17-11-13-18(23-2)14-12-17/h3-14H,1-2H3
InChIKeyAYAFDKIXOLLVKS-UHFFFAOYSA-N
MW330.45 g/mol
LogP6.55
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene

2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene (PubChem CID 102299533) has the molecular formula C22H18OS and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
PubChem CID102299533
Molecular FormulaC22H18OS
Molecular Weight330.45 g/mol
Exact Mass330.11
IUPAC Name2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18OS/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)24-22(21)17-11-13-18(23-2)14-12-17/h3-14H,1-2H3
InChIKeyAYAFDKIXOLLVKS-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
CID 54577902
2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1-benzothiophene
CID 154716120
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
CID 10741585
6-methyl-2,3-diphenyl-1-benzothiophene
CID 13027057
6-(9,10-diphenylanthracen-2-yl)-2,3-bis(4-methylphenyl)-1-benzothiophene
CID 59012338
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
5-methoxy-2-(3-methyl-1-benzothiophen-2-yl)-3-phenyl-1H-indole
CID 176907996
[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 18318529

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene (CID 102299533) is 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene is COc1ccc(-c2sc3ccccc3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene?
The InChIKey is AYAFDKIXOLLVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18OS/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)24-22(21)17-11-13-18(23-2)14-12-17/h3-14H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene?
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene has a molecular weight of 330.45 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene is sourced from PubChem (CID 102299533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).