2-(3-methoxyphenyl)-1-benzothiophene

C15H12OS — CID 4137392

IUPAC2-(3-methoxyphenyl)-1-benzothiophene
SMILESCOc1cccc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C15H12OS/c1-16-13-7-4-6-11(9-13)15-10-12-5-2-3-8-14(12)17-15/h2-10H,1H3
InChIKeyXWUPDHFTQCWMDN-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.58
Rot. Bonds2

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

2-(3-methoxyphenyl)-1-benzothiophene (PubChem CID 4137392) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-benzothiophene
PubChem CID4137392
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name2-(3-methoxyphenyl)-1-benzothiophene
SMILESCOc1cccc(-c2cc3ccccc3s2)c1
InChIInChI=1S/C15H12OS/c1-16-13-7-4-6-11(9-13)15-10-12-5-2-3-8-14(12)17-15/h2-10H,1H3
InChIKeyXWUPDHFTQCWMDN-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 2-(3-methoxyphenyl)-1-benzothiophene (CID 4137392) is 2-(3-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 2-(3-methoxyphenyl)-1-benzothiophene is COc1cccc(-c2cc3ccccc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-benzothiophene?
The InChIKey is XWUPDHFTQCWMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-16-13-7-4-6-11(9-13)15-10-12-5-2-3-8-14(12)17-15/h2-10H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-benzothiophene?
2-(3-methoxyphenyl)-1-benzothiophene has a molecular weight of 240.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 4137392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).