(6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C22H25NO5 — CID 45267872

IUPAC(6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C(C)C)c2c1
InChIInChI=1S/C22H25NO5/c1-13(2)23-12-17(16-8-7-15(25-3)11-18(16)23)21(24)14-9-19(26-4)22(28-6)20(10-14)27-5/h7-13H,1-6H3
InChIKeyKWLMCAABGJTLFD-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.49
Rot. Bonds7

About (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 45267872) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID45267872
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name(6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C(C)C)c2c1
InChIInChI=1S/C22H25NO5/c1-13(2)23-12-17(16-8-7-15(25-3)11-18(16)23)21(24)14-9-19(26-4)22(28-6)20(10-14)27-5/h7-13H,1-6H3
InChIKeyKWLMCAABGJTLFD-UHFFFAOYSA-N
XLogP4.49
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxy-1-propan-2-ylindol-3-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 (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 45267872) is (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C(C)C)c2c1.
What is the InChIKey of (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KWLMCAABGJTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-13(2)23-12-17(16-8-7-15(25-3)11-18(16)23)21(24)14-9-19(26-4)22(28-6)20(10-14)27-5/h7-13H,1-6H3.
What are the key properties of (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 383.44 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-propan-2-ylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 45267872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).