3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane

C19H22O4 — CID 45267297

IUPAC3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
SMILESCCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C19H22O4/c1-4-14-5-7-16(8-6-14)18-20-22-19(23-21-18)17-11-9-15(10-12-17)13(2)3/h5-13,18-19H,4H2,1-3H3
InChIKeyBSEFHTGTSOVQMR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.98
Rot. Bonds4

About 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane

3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane (PubChem CID 45267297) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
PubChem CID45267297
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane
SMILESCCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1
InChIInChI=1S/C19H22O4/c1-4-14-5-7-16(8-6-14)18-20-22-19(23-21-18)17-11-9-15(10-12-17)13(2)3/h5-13,18-19H,4H2,1-3H3
InChIKeyBSEFHTGTSOVQMR-UHFFFAOYSA-N
XLogP4.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 105591
CID 105591
CID 1519430
CID 1519430
CID 10691170
CID 10691170
CID 25110738
CID 25110738
CID 25256858
CID 25256858
CID 25256859
CID 25256859
CID 25256862
CID 25256862
CID 25256863
CID 25256863
CID 25256864
CID 25256864
CID 44517676
CID 44517676
CID 45267301
CID 45267301
CID 45268163
CID 45268163

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The IUPAC name of 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane (CID 45267297) is 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane.
What is the SMILES notation for 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The canonical SMILES for 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane is CCc1ccc(C2OOC(c3ccc(C(C)C)cc3)OO2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
The InChIKey is BSEFHTGTSOVQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-14-5-7-16(8-6-14)18-20-22-19(23-21-18)17-11-9-15(10-12-17)13(2)3/h5-13,18-19H,4H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane?
3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane has a molecular weight of 314.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-6-(4-propan-2-ylphenyl)-1,2,4,5-tetraoxane is sourced from PubChem (CID 45267297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).