3-methylselanyl-1-benzofuran-2-carbaldehyde

C10H8O2Se — CID 13310666

IUPAC3-methylselanyl-1-benzofuran-2-carbaldehyde
SMILESC[Se]c1c(C=O)oc2ccccc12
InChIInChI=1S/C10H8O2Se/c1-13-10-7-4-2-3-5-8(7)12-9(10)6-11/h2-6H,1H3
InChIKeyOKTFBESKWFMDHA-UHFFFAOYSA-N
MW239.13 g/mol
LogP1.62
Rot. Bonds2

About 3-methylselanyl-1-benzofuran-2-carbaldehyde

3-methylselanyl-1-benzofuran-2-carbaldehyde (PubChem CID 13310666) has the molecular formula C10H8O2Se and a molecular weight of 239.13 g/mol. Its IUPAC name is 3-methylselanyl-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name3-methylselanyl-1-benzofuran-2-carbaldehyde
PubChem CID13310666
Molecular FormulaC10H8O2Se
Molecular Weight239.13 g/mol
Exact Mass239.97
IUPAC Name3-methylselanyl-1-benzofuran-2-carbaldehyde
SMILESC[Se]c1c(C=O)oc2ccccc12
InChIInChI=1S/C10H8O2Se/c1-13-10-7-4-2-3-5-8(7)12-9(10)6-11/h2-6H,1H3
InChIKeyOKTFBESKWFMDHA-UHFFFAOYSA-N
XLogP1.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methyl-1-benzofuran-2-yl)prop-2-enoic acid
CID 83591347
propane;xanthen-9-one
CID 90876458
sodium 3-formyl-1-benzofuran-2-thiolate
CID 135057802
2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
CID 102367766
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
3-(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-1-benzofuran-2-carbaldehyde
CID 136601792
3-(methylamino)furo[3,2-c]pyridine-2-carbaldehyde
CID 142922433
3-methyl-2-(2-phenylethenyl)chromen-4-one
CID 85448922
4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
CID 15530921
3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
CID 43141289
anthracene-9,10-dicarbaldehyde;dihydrochloride
CID 19762841

Frequently Asked Questions

What is the IUPAC name of 3-methylselanyl-1-benzofuran-2-carbaldehyde?
The IUPAC name of 3-methylselanyl-1-benzofuran-2-carbaldehyde (CID 13310666) is 3-methylselanyl-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 3-methylselanyl-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 3-methylselanyl-1-benzofuran-2-carbaldehyde is C[Se]c1c(C=O)oc2ccccc12.
What is the InChIKey of 3-methylselanyl-1-benzofuran-2-carbaldehyde?
The InChIKey is OKTFBESKWFMDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2Se/c1-13-10-7-4-2-3-5-8(7)12-9(10)6-11/h2-6H,1H3.
What are the key properties of 3-methylselanyl-1-benzofuran-2-carbaldehyde?
3-methylselanyl-1-benzofuran-2-carbaldehyde has a molecular weight of 239.13 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylselanyl-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 13310666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).