3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol

C13H13NOSe — CID 167475275

IUPAC3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CC3=CCC[Se]3)c2c1
InChIInChI=1S/C13H13NOSe/c15-10-3-4-13-12(7-10)9(8-14-13)6-11-2-1-5-16-11/h2-4,7-8,14-15H,1,5-6H2
InChIKeyVIVTYJOPWBTZGB-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.83
Rot. Bonds2

About 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol

3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol (PubChem CID 167475275) has the molecular formula C13H13NOSe and a molecular weight of 278.21 g/mol. Its IUPAC name is 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol
PubChem CID167475275
Molecular FormulaC13H13NOSe
Molecular Weight278.21 g/mol
Exact Mass279.02
IUPAC Name3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CC3=CCC[Se]3)c2c1
InChIInChI=1S/C13H13NOSe/c15-10-3-4-13-12(7-10)9(8-14-13)6-11-2-1-5-16-11/h2-4,7-8,14-15H,1,5-6H2
InChIKeyVIVTYJOPWBTZGB-UHFFFAOYSA-N
XLogP2.83
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
3-propyl-1H-indol-5-ol
CID 15366338
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
CID 10848791
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol?
The IUPAC name of 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol (CID 167475275) is 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol.
What is the SMILES notation for 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol?
The canonical SMILES for 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol is Oc1ccc2[nH]cc(CC3=CCC[Se]3)c2c1.
What is the InChIKey of 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol?
The InChIKey is VIVTYJOPWBTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOSe/c15-10-3-4-13-12(7-10)9(8-14-13)6-11-2-1-5-16-11/h2-4,7-8,14-15H,1,5-6H2.
What are the key properties of 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol?
3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol has a molecular weight of 278.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroselenophen-5-ylmethyl)-1H-indol-5-ol is sourced from PubChem (CID 167475275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).