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

C17H17NO3 — CID 10540937

IUPAC5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(OC)cc(OC)c3[nH]2)cc1
InChIInChI=1S/C17H17NO3/c1-19-13-6-4-11(5-7-13)15-9-12-8-14(20-2)10-16(21-3)17(12)18-15/h4-10,18H,1-3H3
InChIKeyXBVPXPYQSCQLPT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.86
Rot. Bonds4

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

5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole (PubChem CID 10540937) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole
PubChem CID10540937
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2cc3cc(OC)cc(OC)c3[nH]2)cc1
InChIInChI=1S/C17H17NO3/c1-19-13-6-4-11(5-7-13)15-9-12-8-14(20-2)10-16(21-3)17(12)18-15/h4-10,18H,1-3H3
InChIKeyXBVPXPYQSCQLPT-UHFFFAOYSA-N
XLogP3.86
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole (CID 10540937) is 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2cc3cc(OC)cc(OC)c3[nH]2)cc1.
What is the InChIKey of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole?
The InChIKey is XBVPXPYQSCQLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-13-6-4-11(5-7-13)15-9-12-8-14(20-2)10-16(21-3)17(12)18-15/h4-10,18H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole?
5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole has a molecular weight of 283.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 10540937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).