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

C19H19NO5 — CID 10405034

IUPAC(5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(ccn2C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H19NO5/c1-22-14-5-6-15-12(9-14)7-8-20(15)19(21)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3
InChIKeyCXPQVGCOUWHQMW-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.36
Rot. Bonds5

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

(5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10405034) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10405034
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(ccn2C(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H19NO5/c1-22-14-5-6-15-12(9-14)7-8-20(15)19(21)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3
InChIKeyCXPQVGCOUWHQMW-UHFFFAOYSA-N
XLogP3.36
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10405034) is (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(ccn2C(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CXPQVGCOUWHQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-14-5-6-15-12(9-14)7-8-20(15)19(21)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3.
What are the key properties of (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 341.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10405034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).