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

C20H21NO5 — CID 10450844

IUPAC(6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C)c2c1
InChIInChI=1S/C20H21NO5/c1-21-11-15(14-7-6-13(23-2)10-16(14)21)19(22)12-8-17(24-3)20(26-5)18(9-12)25-4/h6-11H,1-5H3
InChIKeyIKBNHKSTJZOBOH-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.44
Rot. Bonds6

About (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10450844) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10450844
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C)c2c1
InChIInChI=1S/C20H21NO5/c1-21-11-15(14-7-6-13(23-2)10-16(14)21)19(22)12-8-17(24-3)20(26-5)18(9-12)25-4/h6-11H,1-5H3
InChIKeyIKBNHKSTJZOBOH-UHFFFAOYSA-N
XLogP3.44
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 081
CID 10547208
Jwh 250
CID 44397540
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Bpr-0L075
CID 10359957
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-5-ol
CID 24768496
1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxylic acid
CID 1082708
6-(3',4',5'-Trimethoxybenzoyl)quinoline
CID 45139642

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10450844) is (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C)c2c1.
What is the InChIKey of (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IKBNHKSTJZOBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-21-11-15(14-7-6-13(23-2)10-16(14)21)19(22)12-8-17(24-3)20(26-5)18(9-12)25-4/h6-11H,1-5H3.
What are the key properties of (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10450844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).