3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene

C23H20O2S — CID 156602541

IUPAC3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene
SMILESCOCc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1
InChIInChI=1S/C23H20O2S/c1-24-15-16-11-13-17(14-12-16)22-19-8-4-6-10-21(19)26-23(22)18-7-3-5-9-20(18)25-2/h3-14H,15H2,1-2H3
InChIKeyDEWFZVAOJFNVGH-UHFFFAOYSA-N
MW360.48 g/mol
LogP6.39
Rot. Bonds5

About 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene

3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene (PubChem CID 156602541) has the molecular formula C23H20O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene
PubChem CID156602541
Molecular FormulaC23H20O2S
Molecular Weight360.48 g/mol
Exact Mass360.12
IUPAC Name3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene
SMILESCOCc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1
InChIInChI=1S/C23H20O2S/c1-24-15-16-11-13-17(14-12-16)22-19-8-4-6-10-21(19)26-23(22)18-7-3-5-9-20(18)25-2/h3-14H,15H2,1-2H3
InChIKeyDEWFZVAOJFNVGH-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene (CID 156602541) is 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene is COCc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1.
What is the InChIKey of 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene?
The InChIKey is DEWFZVAOJFNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2S/c1-24-15-16-11-13-17(14-12-16)22-19-8-4-6-10-21(19)26-23(22)18-7-3-5-9-20(18)25-2/h3-14H,15H2,1-2H3.
What are the key properties of 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene?
3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene has a molecular weight of 360.48 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)phenyl]-2-(2-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 156602541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).