(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H21NO5 — CID 11279701

IUPAC(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H21NO5/c1-11-18(14-10-13(23-2)6-7-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
InChIKeySETPSFUXEQTQGD-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.74
Rot. Bonds6

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

(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11279701) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11279701
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C20H21NO5/c1-11-18(14-10-13(23-2)6-7-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
InChIKeySETPSFUXEQTQGD-UHFFFAOYSA-N
XLogP3.74
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11279701) is (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2[nH]c(C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1.
What is the InChIKey of (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is SETPSFUXEQTQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-11-18(14-10-13(23-2)6-7-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3.
What are the key properties of (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 355.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11279701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).