4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol

C19H29NOSe — CID 134919506

IUPAC4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
SMILESCCCC1(CCC)CC(O)(CC)N=C(c2ccc(C)cc2)[Se]1
InChIInChI=1S/C19H29NOSe/c1-5-12-18(13-6-2)14-19(21,7-3)20-17(22-18)16-10-8-15(4)9-11-16/h8-11,21H,5-7,12-14H2,1-4H3
InChIKeyQGIVOPMIVIVEAD-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.71
Rot. Bonds6

About 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol

4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol (PubChem CID 134919506) has the molecular formula C19H29NOSe and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol.

Molecular Properties

Compound Name4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
PubChem CID134919506
Molecular FormulaC19H29NOSe
Molecular Weight366.41 g/mol
Exact Mass367.14
IUPAC Name4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol
SMILESCCCC1(CCC)CC(O)(CC)N=C(c2ccc(C)cc2)[Se]1
InChIInChI=1S/C19H29NOSe/c1-5-12-18(13-6-2)14-19(21,7-3)20-17(22-18)16-10-8-15(4)9-11-16/h8-11,21H,5-7,12-14H2,1-4H3
InChIKeyQGIVOPMIVIVEAD-UHFFFAOYSA-N
XLogP4.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.71
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-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol?
The IUPAC name of 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol (CID 134919506) is 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol.
What is the SMILES notation for 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol?
The canonical SMILES for 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol is CCCC1(CCC)CC(O)(CC)N=C(c2ccc(C)cc2)[Se]1.
What is the InChIKey of 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol?
The InChIKey is QGIVOPMIVIVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NOSe/c1-5-12-18(13-6-2)14-19(21,7-3)20-17(22-18)16-10-8-15(4)9-11-16/h8-11,21H,5-7,12-14H2,1-4H3.
What are the key properties of 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol?
4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol has a molecular weight of 366.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylphenyl)-6,6-dipropyl-5H-1,3-selenazin-4-ol is sourced from PubChem (CID 134919506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).