3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole

C17H17NO5Se — CID 74763389

IUPAC3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole
SMILESCOc1cc([Se](=O)(=O)c2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C17H17NO5Se/c1-21-14-8-11(9-15(22-2)17(14)23-3)24(19,20)16-10-18-13-7-5-4-6-12(13)16/h4-10,18H,1-3H3
InChIKeyMRTUCBKGVHKTQE-UHFFFAOYSA-N
MW394.29 g/mol
LogP1.61
Rot. Bonds5

About 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole

3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole (PubChem CID 74763389) has the molecular formula C17H17NO5Se and a molecular weight of 394.29 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole
PubChem CID74763389
Molecular FormulaC17H17NO5Se
Molecular Weight394.29 g/mol
Exact Mass395.03
IUPAC Name3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole
SMILESCOc1cc([Se](=O)(=O)c2c[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C17H17NO5Se/c1-21-14-8-11(9-15(22-2)17(14)23-3)24(19,20)16-10-18-13-7-5-4-6-12(13)16/h4-10,18H,1-3H3
InChIKeyMRTUCBKGVHKTQE-UHFFFAOYSA-N
XLogP1.61
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 24764118
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013162
(Z)-2-(5,6-dimethoxy-1H-indol-3-yl)-3-(1H-indol-3-yl)but-2-enedioic acid
CID 22410568
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
3-[2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 154206174
(Z)-3-[2,3-dimethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 118495563
(2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoic acid
CID 51997757
methyl (2S)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 10620877

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole (CID 74763389) is 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole is COc1cc([Se](=O)(=O)c2c[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole?
The InChIKey is MRTUCBKGVHKTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5Se/c1-21-14-8-11(9-15(22-2)17(14)23-3)24(19,20)16-10-18-13-7-5-4-6-12(13)16/h4-10,18H,1-3H3.
What are the key properties of 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole?
3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole has a molecular weight of 394.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)selenonyl-1H-indole is sourced from PubChem (CID 74763389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).