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

C20H21NO5 — CID 10066775

IUPAC(5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(c1)cc(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H21NO5/c1-12-8-13-9-15(23-2)6-7-16(13)21(12)20(22)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11H,1-5H3
InChIKeyHVDSRKLOLQBRON-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.67
Rot. Bonds5

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

(5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10066775) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10066775
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(c1)cc(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H21NO5/c1-12-8-13-9-15(23-2)6-7-16(13)21(12)20(22)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11H,1-5H3
InChIKeyHVDSRKLOLQBRON-UHFFFAOYSA-N
XLogP3.67
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10066775) is (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(c1)cc(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HVDSRKLOLQBRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-8-13-9-15(23-2)6-7-16(13)21(12)20(22)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11H,1-5H3.
What are the key properties of (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methylindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10066775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).