2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole

C18H19NO4 — CID 13011434

IUPAC2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
SMILESCOc1ccc(-c2cc3c(OC)ccc(OC)c3[nH]2)c(OC)c1
InChIInChI=1S/C18H19NO4/c1-20-11-5-6-12(17(9-11)23-4)14-10-13-15(21-2)7-8-16(22-3)18(13)19-14/h5-10,19H,1-4H3
InChIKeyVASIGVBDWFLQOO-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.87
Rot. Bonds5

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

2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole (PubChem CID 13011434) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
PubChem CID13011434
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
SMILESCOc1ccc(-c2cc3c(OC)ccc(OC)c3[nH]2)c(OC)c1
InChIInChI=1S/C18H19NO4/c1-20-11-5-6-12(17(9-11)23-4)14-10-13-15(21-2)7-8-16(22-3)18(13)19-14/h5-10,19H,1-4H3
InChIKeyVASIGVBDWFLQOO-UHFFFAOYSA-N
XLogP3.87
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole (CID 13011434) is 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole is COc1ccc(-c2cc3c(OC)ccc(OC)c3[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole?
The InChIKey is VASIGVBDWFLQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-20-11-5-6-12(17(9-11)23-4)14-10-13-15(21-2)7-8-16(22-3)18(13)19-14/h5-10,19H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole?
2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole has a molecular weight of 313.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole is sourced from PubChem (CID 13011434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).