4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol

C18H27NOSe — CID 134919764

IUPAC4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=NC(C)(O)CC(C(C)C)(C(C)C)[Se]2)cc1
InChIInChI=1S/C18H27NOSe/c1-12(2)18(13(3)4)11-17(6,20)19-16(21-18)15-9-7-14(5)8-10-15/h7-10,12-13,20H,11H2,1-6H3
InChIKeyXWXYEBNFWXPWSP-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.03
Rot. Bonds3

About 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol

4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol (PubChem CID 134919764) has the molecular formula C18H27NOSe and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
PubChem CID134919764
Molecular FormulaC18H27NOSe
Molecular Weight352.38 g/mol
Exact Mass353.13
IUPAC Name4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
SMILESCc1ccc(C2=NC(C)(O)CC(C(C)C)(C(C)C)[Se]2)cc1
InChIInChI=1S/C18H27NOSe/c1-12(2)18(13(3)4)11-17(6,20)19-16(21-18)15-9-7-14(5)8-10-15/h7-10,12-13,20H,11H2,1-6H3
InChIKeyXWXYEBNFWXPWSP-UHFFFAOYSA-N
XLogP4.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.03
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

6-isopropyl-4-methyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9926685
4-Ethyl-2-(4-methylphenyl)-6-propan-2-yl-5,6-dihydro-1,3-selenazin-4-ol
CID 145951015
4-ethyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9903869
4-Methyl-2-(4-methylphenyl)-5,6-dihydro-1,3-selenazin-4-ol
CID 9903475
4-Methyl-2-(4-methylphenyl)-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
CID 9904759
4,6,6-trimethyl-2-(4-methylphenyl)-5H-1,3-selenazin-4-ol
CID 9948115
4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
CID 134919506
4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
CID 134919507
4-methyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
CID 134919588
4-ethyl-2-pentyl-6,6-diphenyl-5H-1,3-selenazin-4-ol
CID 134919738
4-ethyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
CID 134919744
4-methyl-2-(4-methylphenyl)-6,6-diphenyl-5H-1,3-selenazin-4-ol
CID 134919765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol (CID 134919764) is 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol is Cc1ccc(C2=NC(C)(O)CC(C(C)C)(C(C)C)[Se]2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
The InChIKey is XWXYEBNFWXPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOSe/c1-12(2)18(13(3)4)11-17(6,20)19-16(21-18)15-9-7-14(5)8-10-15/h7-10,12-13,20H,11H2,1-6H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol?
4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol has a molecular weight of 352.38 g/mol, XLogP of 4.03, 3 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)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol is sourced from PubChem (CID 134919764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).