2-hydroxy-3-methylselenochromen-4-one

C10H8O2Se — CID 134911237

IUPAC2-hydroxy-3-methylselenochromen-4-one
SMILESCc1c(O)[se]c2ccccc2c1=O
InChIInChI=1S/C10H8O2Se/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5,12H,1H3
InChIKeyJRSRYKRSHPWALU-UHFFFAOYSA-N
MW239.13 g/mol
LogP1.27
Rot. Bonds

About 2-hydroxy-3-methylselenochromen-4-one

2-hydroxy-3-methylselenochromen-4-one (PubChem CID 134911237) has the molecular formula C10H8O2Se and a molecular weight of 239.13 g/mol. Its IUPAC name is 2-hydroxy-3-methylselenochromen-4-one.

Molecular Properties

Compound Name2-hydroxy-3-methylselenochromen-4-one
PubChem CID134911237
Molecular FormulaC10H8O2Se
Molecular Weight239.13 g/mol
Exact Mass239.97
IUPAC Name2-hydroxy-3-methylselenochromen-4-one
SMILESCc1c(O)[se]c2ccccc2c1=O
InChIInChI=1S/C10H8O2Se/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5,12H,1H3
InChIKeyJRSRYKRSHPWALU-UHFFFAOYSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 134938353
2-(4-methylphenyl)selenochromen-4-one
CID 132819686
3-ethyl-2-phenylselanylselenochromen-4-one
CID 134911243
2-methyl-[1]benzoselenolo[2,3-b][1]benzoselenole
CID 134908987
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
3,4-dihydroxy-1,2-dimethylxanthen-9-one
CID 172645694
3-hydroxy-2-methylcyclohepta-2,4,6-trien-1-one
CID 123525175
1-hydroxy-4-methoxy-3-methyl-2-nitroanthracene-9,10-dione
CID 3919311
3-methyl-4-oxochromene-2-carboxylic acid
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1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylselenochromen-4-one?
The IUPAC name of 2-hydroxy-3-methylselenochromen-4-one (CID 134911237) is 2-hydroxy-3-methylselenochromen-4-one.
What is the SMILES notation for 2-hydroxy-3-methylselenochromen-4-one?
The canonical SMILES for 2-hydroxy-3-methylselenochromen-4-one is Cc1c(O)[se]c2ccccc2c1=O.
What is the InChIKey of 2-hydroxy-3-methylselenochromen-4-one?
The InChIKey is JRSRYKRSHPWALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2Se/c1-6-9(11)7-4-2-3-5-8(7)13-10(6)12/h2-5,12H,1H3.
What are the key properties of 2-hydroxy-3-methylselenochromen-4-one?
2-hydroxy-3-methylselenochromen-4-one has a molecular weight of 239.13 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylselenochromen-4-one is sourced from PubChem (CID 134911237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).