(1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H23NO5 — CID 10406781

IUPAC(1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/C21H23NO5/c1-6-22-12-16(15-8-7-14(24-2)11-17(15)22)20(23)13-9-18(25-3)21(27-5)19(10-13)26-4/h7-12H,6H2,1-5H3
InChIKeyQEARQFULDJPTIK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.93
Rot. Bonds7

About (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10406781) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10406781
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCn1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/C21H23NO5/c1-6-22-12-16(15-8-7-14(24-2)11-17(15)22)20(23)13-9-18(25-3)21(27-5)19(10-13)26-4/h7-12H,6H2,1-5H3
InChIKeyQEARQFULDJPTIK-UHFFFAOYSA-N
XLogP3.93
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10406781) is (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCn1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21.
What is the InChIKey of (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QEARQFULDJPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-6-22-12-16(15-8-7-14(24-2)11-17(15)22)20(23)13-9-18(25-3)21(27-5)19(10-13)26-4/h7-12H,6H2,1-5H3.
What are the key properties of (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 369.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10406781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).