1,3-bis(4-methoxyphenyl)-2-benzothiophene

C22H18O2S — CID 14668872

IUPAC1,3-bis(4-methoxyphenyl)-2-benzothiophene
SMILESCOc1ccc(-c2sc(-c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18O2S/c1-23-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(25-21)16-9-13-18(24-2)14-10-16/h3-14H,1-2H3
InChIKeyFBJKRPSDEFNGRT-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.25
Rot. Bonds4

About 1,3-bis(4-methoxyphenyl)-2-benzothiophene

1,3-bis(4-methoxyphenyl)-2-benzothiophene (PubChem CID 14668872) has the molecular formula C22H18O2S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)-2-benzothiophene.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)-2-benzothiophene
PubChem CID14668872
Molecular FormulaC22H18O2S
Molecular Weight346.45 g/mol
Exact Mass346.10
IUPAC Name1,3-bis(4-methoxyphenyl)-2-benzothiophene
SMILESCOc1ccc(-c2sc(-c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18O2S/c1-23-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(25-21)16-9-13-18(24-2)14-10-16/h3-14H,1-2H3
InChIKeyFBJKRPSDEFNGRT-UHFFFAOYSA-N
XLogP6.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1-benzothiophene
CID 154716120
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
5,6-bis(4-methoxyphenyl)tetrathiine
CID 102027357
2-[[5-[3-(4-methoxyphenyl)-2-benzothiophen-1-yl]-3,4-dimethylthieno[2,3-b]thiophen-2-yl]methylidene]propanedinitrile
CID 139233047
4-(4-methoxyphenyl)-2-(2-methylphenyl)-5-(4-methylphenyl)-3-phenylthiophene
CID 54577902
3-bromo-2-(4-methoxyphenyl)thieno[2,3-b]pyridine
CID 102442181
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)-2-benzothiophene?
The IUPAC name of 1,3-bis(4-methoxyphenyl)-2-benzothiophene (CID 14668872) is 1,3-bis(4-methoxyphenyl)-2-benzothiophene.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)-2-benzothiophene?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)-2-benzothiophene is COc1ccc(-c2sc(-c3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)-2-benzothiophene?
The InChIKey is FBJKRPSDEFNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2S/c1-23-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(25-21)16-9-13-18(24-2)14-10-16/h3-14H,1-2H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)-2-benzothiophene?
1,3-bis(4-methoxyphenyl)-2-benzothiophene has a molecular weight of 346.45 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)-2-benzothiophene is sourced from PubChem (CID 14668872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).