(4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone

C20H21NO5 — CID 71575424

IUPAC(4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1
InChIInChI=1S/C20H21NO5/c1-21-11-15(18(22)12-6-8-13(23-2)9-7-12)14-10-16(24-3)19(25-4)20(26-5)17(14)21/h6-11H,1-5H3
InChIKeyJTGAYIPSWZQYIM-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.44
Rot. Bonds6

About (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone

(4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone (PubChem CID 71575424) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone
PubChem CID71575424
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1
InChIInChI=1S/C20H21NO5/c1-21-11-15(18(22)12-6-8-13(23-2)9-7-12)14-10-16(24-3)19(25-4)20(26-5)17(14)21/h6-11H,1-5H3
InChIKeyJTGAYIPSWZQYIM-UHFFFAOYSA-N
XLogP3.44
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Bpr-0L075
CID 10359957
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
(7-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 25211155
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44578660
5-(benzyloxy)-6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 24768495
6-Methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1H-indole
CID 10473384
(3,5-Dimethoxy-phenyl)-(6-methoxy-1H-indol-3-yl)-methanone
CID 11162707
(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11291211
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carboxamide
CID 71604853

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone (CID 71575424) is (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone is COc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
The InChIKey is JTGAYIPSWZQYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-21-11-15(18(22)12-6-8-13(23-2)9-7-12)14-10-16(24-3)19(25-4)20(26-5)17(14)21/h6-11H,1-5H3.
What are the key properties of (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
(4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 71575424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).