[4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol

C12H13NOSe — CID 147560362

IUPAC[4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol
SMILESCc1ccc(-c2nc(C)c(CO)[se]2)cc1
InChIInChI=1S/C12H13NOSe/c1-8-3-5-10(6-4-8)12-13-9(2)11(7-14)15-12/h3-6,14H,7H2,1-2H3
InChIKeyFSMVVZMHRHSGOT-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.91
Rot. Bonds2

About [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol

[4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol (PubChem CID 147560362) has the molecular formula C12H13NOSe and a molecular weight of 266.20 g/mol. Its IUPAC name is [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol
PubChem CID147560362
Molecular FormulaC12H13NOSe
Molecular Weight266.20 g/mol
Exact Mass267.02
IUPAC Name[4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol
SMILESCc1ccc(-c2nc(C)c(CO)[se]2)cc1
InChIInChI=1S/C12H13NOSe/c1-8-3-5-10(6-4-8)12-13-9(2)11(7-14)15-12/h3-6,14H,7H2,1-2H3
InChIKeyFSMVVZMHRHSGOT-UHFFFAOYSA-N
XLogP1.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
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-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol (CID 147560362) is [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol is Cc1ccc(-c2nc(C)c(CO)[se]2)cc1.
What is the InChIKey of [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol?
The InChIKey is FSMVVZMHRHSGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOSe/c1-8-3-5-10(6-4-8)12-13-9(2)11(7-14)15-12/h3-6,14H,7H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol?
[4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol has a molecular weight of 266.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol is sourced from PubChem (CID 147560362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).