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

C11H11NOSe — CID 12597088

IUPAC[2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol
SMILESCc1cccc(-c2nc(CO)c[se]2)c1
InChIInChI=1S/C11H11NOSe/c1-8-3-2-4-9(5-8)11-12-10(6-13)7-14-11/h2-5,7,13H,6H2,1H3
InChIKeyAFJPLXGDFSHRPD-UHFFFAOYSA-N
MW252.17 g/mol
LogP1.61
Rot. Bonds2

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

[2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol (PubChem CID 12597088) has the molecular formula C11H11NOSe and a molecular weight of 252.17 g/mol. Its IUPAC name is [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol
PubChem CID12597088
Molecular FormulaC11H11NOSe
Molecular Weight252.17 g/mol
Exact Mass253.00
IUPAC Name[2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol
SMILESCc1cccc(-c2nc(CO)c[se]2)c1
InChIInChI=1S/C11H11NOSe/c1-8-3-2-4-9(5-8)11-12-10(6-13)7-14-11/h2-5,7,13H,6H2,1H3
InChIKeyAFJPLXGDFSHRPD-UHFFFAOYSA-N
XLogP1.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 51.61
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

[2-(4-Chlorophenyl)-1,3-selenazol-4-yl]methanol
CID 12597087
4-(Methoxymethyl)-2-(4-methylphenyl)-1,3-selenazole
CID 10515861
4-(Methoxymethyl)-2-phenyl-1,3-selenazole
CID 10824668
[4-Methyl-2-(4-methylphenyl)-1,3-selenazol-5-yl]methanol
CID 147560362
(2-Phenyl-1,3-selenazol-4-yl)methanol
CID 12597085
[2-(4-Bromophenyl)-1,3-selenazol-4-yl]methanol
CID 12597086

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol?
The IUPAC name of [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol (CID 12597088) is [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol.
What is the SMILES notation for [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol?
The canonical SMILES for [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol is Cc1cccc(-c2nc(CO)c[se]2)c1.
What is the InChIKey of [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol?
The InChIKey is AFJPLXGDFSHRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOSe/c1-8-3-2-4-9(5-8)11-12-10(6-13)7-14-11/h2-5,7,13H,6H2,1H3.
What are the key properties of [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol?
[2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol has a molecular weight of 252.17 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-1,3-selenazol-4-yl]methanol is sourced from PubChem (CID 12597088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).