(6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO5 — CID 10473384

IUPAC(6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1
InChIInChI=1S/C20H21NO5/c1-11-18(14-7-6-13(23-2)10-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
InChIKeyABDLPIQRPBGQPA-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.74
Rot. Bonds6

About (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10473384) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10473384
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1
InChIInChI=1S/C20H21NO5/c1-11-18(14-7-6-13(23-2)10-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
InChIKeyABDLPIQRPBGQPA-UHFFFAOYSA-N
XLogP3.74
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bpr-0L075
CID 10359957
Koeniginequinone B
CID 11184822
Koeniginequinone A
CID 11264975
(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
[3-(1H-indol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 57731074
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44578660
(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
2-((3,5-dimethoxyphenyl)amino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916879
2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3826063

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10473384) is (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1.
What is the InChIKey of (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ABDLPIQRPBGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-11-18(14-7-6-13(23-2)10-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3.
What are the key properties of (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10473384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).