5,7-dichloro-2-(4-methoxyphenyl)-1H-indole

C15H11Cl2NO — CID 23248552

IUPAC5,7-dichloro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(Cl)cc(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H11Cl2NO/c1-19-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)18-14/h2-8,18H,1H3
InChIKeyVKPJMOCNYWWNCE-UHFFFAOYSA-N
MW292.17 g/mol
LogP5.15
Rot. Bonds2

About 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole

5,7-dichloro-2-(4-methoxyphenyl)-1H-indole (PubChem CID 23248552) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name5,7-dichloro-2-(4-methoxyphenyl)-1H-indole
PubChem CID23248552
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name5,7-dichloro-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(Cl)cc(Cl)c3[nH]2)cc1
InChIInChI=1S/C15H11Cl2NO/c1-19-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)18-14/h2-8,18H,1H3
InChIKeyVKPJMOCNYWWNCE-UHFFFAOYSA-N
XLogP5.15
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.17
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole (CID 23248552) is 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc3cc(Cl)cc(Cl)c3[nH]2)cc1.
What is the InChIKey of 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole?
The InChIKey is VKPJMOCNYWWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-19-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)18-14/h2-8,18H,1H3.
What are the key properties of 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole?
5,7-dichloro-2-(4-methoxyphenyl)-1H-indole has a molecular weight of 292.17 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 23248552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).