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

C22H18O2S — CID 24819146

IUPAC2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1
InChIInChI=1S/C22H18O2S/c1-23-16-13-11-15(12-14-16)21-18-8-4-6-10-20(18)25-22(21)17-7-3-5-9-19(17)24-2/h3-14H,1-2H3
InChIKeyOOIDIPVHPVBSRT-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.25
Rot. Bonds4

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

2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene (PubChem CID 24819146) has the molecular formula C22H18O2S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene
PubChem CID24819146
Molecular FormulaC22H18O2S
Molecular Weight346.45 g/mol
Exact Mass346.10
IUPAC Name2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1
InChIInChI=1S/C22H18O2S/c1-23-16-13-11-15(12-14-16)21-18-8-4-6-10-20(18)25-22(21)17-7-3-5-9-19(17)24-2/h3-14H,1-2H3
InChIKeyOOIDIPVHPVBSRT-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene (CID 24819146) is 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene is COc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene?
The InChIKey is OOIDIPVHPVBSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2S/c1-23-16-13-11-15(12-14-16)21-18-8-4-6-10-20(18)25-22(21)17-7-3-5-9-19(17)24-2/h3-14H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene?
2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-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 2-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 24819146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).