4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole

C12H13NOSe — CID 10515861

IUPAC4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole
SMILESCOCc1c[se]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H13NOSe/c1-9-3-5-10(6-4-9)12-13-11(7-14-2)8-15-12/h3-6,8H,7H2,1-2H3
InChIKeyFINQGXPLQRNOAV-UHFFFAOYSA-N
MW266.20 g/mol
LogP2.26
Rot. Bonds3

About 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole

4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole (PubChem CID 10515861) has the molecular formula C12H13NOSe and a molecular weight of 266.20 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole
PubChem CID10515861
Molecular FormulaC12H13NOSe
Molecular Weight266.20 g/mol
Exact Mass267.02
IUPAC Name4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole
SMILESCOCc1c[se]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H13NOSe/c1-9-3-5-10(6-4-9)12-13-11(7-14-2)8-15-12/h3-6,8H,7H2,1-2H3
InChIKeyFINQGXPLQRNOAV-UHFFFAOYSA-N
XLogP2.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole?
The IUPAC name of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole (CID 10515861) is 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole?
The canonical SMILES for 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole is COCc1c[se]c(-c2ccc(C)cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole?
The InChIKey is FINQGXPLQRNOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOSe/c1-9-3-5-10(6-4-9)12-13-11(7-14-2)8-15-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole?
4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole has a molecular weight of 266.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole is sourced from PubChem (CID 10515861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).