6-methoxy-2-phenyl-1-benzothiophene

C15H12OS — CID 10198654

IUPAC6-methoxy-2-phenyl-1-benzothiophene
SMILESCOc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C15H12OS/c1-16-13-8-7-12-9-14(17-15(12)10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyHLGUWWKXVOYVFR-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.58
Rot. Bonds2

About 6-methoxy-2-phenyl-1-benzothiophene

6-methoxy-2-phenyl-1-benzothiophene (PubChem CID 10198654) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-2-phenyl-1-benzothiophene
PubChem CID10198654
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name6-methoxy-2-phenyl-1-benzothiophene
SMILESCOc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C15H12OS/c1-16-13-8-7-12-9-14(17-15(12)10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyHLGUWWKXVOYVFR-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 6-methoxy-2-phenyl-1-benzothiophene?
The IUPAC name of 6-methoxy-2-phenyl-1-benzothiophene (CID 10198654) is 6-methoxy-2-phenyl-1-benzothiophene.
What is the SMILES notation for 6-methoxy-2-phenyl-1-benzothiophene?
The canonical SMILES for 6-methoxy-2-phenyl-1-benzothiophene is COc1ccc2cc(-c3ccccc3)sc2c1.
What is the InChIKey of 6-methoxy-2-phenyl-1-benzothiophene?
The InChIKey is HLGUWWKXVOYVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-16-13-8-7-12-9-14(17-15(12)10-13)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 6-methoxy-2-phenyl-1-benzothiophene?
6-methoxy-2-phenyl-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 6-methoxy-2-phenyl-1-benzothiophene is sourced from PubChem (CID 10198654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).