6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole

C19H17NOS — CID 10494953

IUPAC6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole
SMILESCOc1ccc(-n2c(C)cc3c4sc(C)cc4ccc32)cc1
InChIInChI=1S/C19H17NOS/c1-12-10-17-18(9-4-14-11-13(2)22-19(14)17)20(12)15-5-7-16(21-3)8-6-15/h4-11H,1-3H3
InChIKeyRKVGCUVCCXADIN-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.47
Rot. Bonds2

About 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole

6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole (PubChem CID 10494953) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole
PubChem CID10494953
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole
SMILESCOc1ccc(-n2c(C)cc3c4sc(C)cc4ccc32)cc1
InChIInChI=1S/C19H17NOS/c1-12-10-17-18(9-4-14-11-13(2)22-19(14)17)20(12)15-5-7-16(21-3)8-6-15/h4-11H,1-3H3
InChIKeyRKVGCUVCCXADIN-UHFFFAOYSA-N
XLogP5.47
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole?
The IUPAC name of 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole (CID 10494953) is 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole.
What is the SMILES notation for 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole?
The canonical SMILES for 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole is COc1ccc(-n2c(C)cc3c4sc(C)cc4ccc32)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole?
The InChIKey is RKVGCUVCCXADIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-12-10-17-18(9-4-14-11-13(2)22-19(14)17)20(12)15-5-7-16(21-3)8-6-15/h4-11H,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole?
6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole has a molecular weight of 307.42 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2,7-dimethylthieno[2,3-e]indole is sourced from PubChem (CID 10494953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).