4,5,6-trimethoxy-1-(4-methoxyphenyl)indole

C18H19NO4 — CID 54768148

IUPAC4,5,6-trimethoxy-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H19NO4/c1-20-13-7-5-12(6-8-13)19-10-9-14-15(19)11-16(21-2)18(23-4)17(14)22-3/h5-11H,1-4H3
InChIKeyWWHXNKXYGFSNPB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.66
Rot. Bonds5

About 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole

4,5,6-trimethoxy-1-(4-methoxyphenyl)indole (PubChem CID 54768148) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole.

Molecular Properties

Compound Name4,5,6-trimethoxy-1-(4-methoxyphenyl)indole
PubChem CID54768148
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4,5,6-trimethoxy-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H19NO4/c1-20-13-7-5-12(6-8-13)19-10-9-14-15(19)11-16(21-2)18(23-4)17(14)22-3/h5-11H,1-4H3
InChIKeyWWHXNKXYGFSNPB-UHFFFAOYSA-N
XLogP3.66
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole?
The IUPAC name of 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole (CID 54768148) is 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole.
What is the SMILES notation for 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole?
The canonical SMILES for 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole is COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1.
What is the InChIKey of 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole?
The InChIKey is WWHXNKXYGFSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-20-13-7-5-12(6-8-13)19-10-9-14-15(19)11-16(21-2)18(23-4)17(14)22-3/h5-11H,1-4H3.
What are the key properties of 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole?
4,5,6-trimethoxy-1-(4-methoxyphenyl)indole has a molecular weight of 313.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-1-(4-methoxyphenyl)indole is sourced from PubChem (CID 54768148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).