(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H23NO5 — CID 59138493

IUPAC(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(C)[nH]c3c(C)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-11-15(24-3)8-7-14-18(12(2)22-19(11)14)20(23)13-9-16(25-4)21(27-6)17(10-13)26-5/h7-10,22H,1-6H3
InChIKeyKQBWQBLNRYFQGL-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.05
Rot. Bonds6

About (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 59138493) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID59138493
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(C)[nH]c3c(C)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-11-15(24-3)8-7-14-18(12(2)22-19(11)14)20(23)13-9-16(25-4)21(27-6)17(10-13)26-5/h7-10,22H,1-6H3
InChIKeyKQBWQBLNRYFQGL-UHFFFAOYSA-N
XLogP4.05
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
CID 132559325
[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
CID 144935289
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 59138493) is (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(C)[nH]c3c(C)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KQBWQBLNRYFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-11-15(24-3)8-7-14-18(12(2)22-19(11)14)20(23)13-9-16(25-4)21(27-6)17(10-13)26-5/h7-10,22H,1-6H3.
What are the key properties of (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 59138493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).