4-(2-methoxyphenyl)thieno[3,2-b]indole

C17H13NOS — CID 164669908

IUPAC4-(2-methoxyphenyl)thieno[3,2-b]indole
SMILESCOc1ccccc1-n1c2ccccc2c2sccc21
InChIInChI=1S/C17H13NOS/c1-19-16-9-5-4-8-14(16)18-13-7-3-2-6-12(13)17-15(18)10-11-20-17/h2-11H,1H3
InChIKeyWSIOZOSSYNKOJZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.85
Rot. Bonds2

About 4-(2-methoxyphenyl)thieno[3,2-b]indole

4-(2-methoxyphenyl)thieno[3,2-b]indole (PubChem CID 164669908) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)thieno[3,2-b]indole.

Molecular Properties

Compound Name4-(2-methoxyphenyl)thieno[3,2-b]indole
PubChem CID164669908
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name4-(2-methoxyphenyl)thieno[3,2-b]indole
SMILESCOc1ccccc1-n1c2ccccc2c2sccc21
InChIInChI=1S/C17H13NOS/c1-19-16-9-5-4-8-14(16)18-13-7-3-2-6-12(13)17-15(18)10-11-20-17/h2-11H,1H3
InChIKeyWSIOZOSSYNKOJZ-UHFFFAOYSA-N
XLogP4.85
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)thieno[3,2-b]indole?
The IUPAC name of 4-(2-methoxyphenyl)thieno[3,2-b]indole (CID 164669908) is 4-(2-methoxyphenyl)thieno[3,2-b]indole.
What is the SMILES notation for 4-(2-methoxyphenyl)thieno[3,2-b]indole?
The canonical SMILES for 4-(2-methoxyphenyl)thieno[3,2-b]indole is COc1ccccc1-n1c2ccccc2c2sccc21.
What is the InChIKey of 4-(2-methoxyphenyl)thieno[3,2-b]indole?
The InChIKey is WSIOZOSSYNKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-19-16-9-5-4-8-14(16)18-13-7-3-2-6-12(13)17-15(18)10-11-20-17/h2-11H,1H3.
What are the key properties of 4-(2-methoxyphenyl)thieno[3,2-b]indole?
4-(2-methoxyphenyl)thieno[3,2-b]indole has a molecular weight of 279.36 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)thieno[3,2-b]indole is sourced from PubChem (CID 164669908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).