(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO4 — CID 71028644

IUPAC(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3cc(C)ccc3n2C)cc(OC)c1OC
InChIInChI=1S/C20H21NO4/c1-12-6-7-15-13(8-12)9-16(21(15)2)19(22)14-10-17(23-3)20(25-5)18(11-14)24-4/h6-11H,1-5H3
InChIKeyJGSSLBNYMFJTCL-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.74
Rot. Bonds5

About (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71028644) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71028644
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3cc(C)ccc3n2C)cc(OC)c1OC
InChIInChI=1S/C20H21NO4/c1-12-6-7-15-13(8-12)9-16(21(15)2)19(22)14-10-17(23-3)20(25-5)18(11-14)24-4/h6-11H,1-5H3
InChIKeyJGSSLBNYMFJTCL-UHFFFAOYSA-N
XLogP3.74
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylphenyl)-1-thiophen-3-ylpyrrol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171779555
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
ethyl 3-amino-6-methyl-2-(3,4,5-trimethoxybenzoyl)indole-1-carboxylate
CID 24808168
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
CID 168677969
1-methyl-5-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde
CID 71606868
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
S-(4-methylphenyl) 3,4,5-trimethoxybenzenecarbothioate
CID 2132141
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708645

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71028644) is (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc3cc(C)ccc3n2C)cc(OC)c1OC.
What is the InChIKey of (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JGSSLBNYMFJTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12-6-7-15-13(8-12)9-16(21(15)2)19(22)14-10-17(23-3)20(25-5)18(11-14)24-4/h6-11H,1-5H3.
What are the key properties of (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 339.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71028644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).