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

C16H14O2S — CID 15572636

IUPAC3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3ccccc3c2OC)cc1
InChIInChI=1S/C16H14O2S/c1-17-12-9-7-11(8-10-12)16-15(18-2)13-5-3-4-6-14(13)19-16/h3-10H,1-2H3
InChIKeyNHIKMAPYSZXBRO-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.59
Rot. Bonds3

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

3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene (PubChem CID 15572636) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
PubChem CID15572636
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2sc3ccccc3c2OC)cc1
InChIInChI=1S/C16H14O2S/c1-17-12-9-7-11(8-10-12)16-15(18-2)13-5-3-4-6-14(13)19-16/h3-10H,1-2H3
InChIKeyNHIKMAPYSZXBRO-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene (CID 15572636) is 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene is COc1ccc(-c2sc3ccccc3c2OC)cc1.
What is the InChIKey of 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene?
The InChIKey is NHIKMAPYSZXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S/c1-17-12-9-7-11(8-10-12)16-15(18-2)13-5-3-4-6-14(13)19-16/h3-10H,1-2H3.
What are the key properties of 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene?
3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene has a molecular weight of 270.35 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 15572636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).