ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C19H24O2 — CID 18943236

IUPACethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)(c1ccccc1)c1cc2ccc1o2.CCOCC
InChIInChI=1S/C15H14O.C4H10O/c1-15(2,11-6-4-3-5-7-11)13-10-12-8-9-14(13)16-12;1-3-5-4-2/h3-10H,1-2H3;3-4H2,1-2H3
InChIKeyADGSNZOEEYUELE-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.24
Rot. Bonds4

About ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 18943236) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Nameethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID18943236
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Nameethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)(c1ccccc1)c1cc2ccc1o2.CCOCC
InChIInChI=1S/C15H14O.C4H10O/c1-15(2,11-6-4-3-5-7-11)13-10-12-8-9-14(13)16-12;1-3-5-4-2/h3-10H,1-2H3;3-4H2,1-2H3
InChIKeyADGSNZOEEYUELE-UHFFFAOYSA-N
XLogP5.24
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 18943236) is ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CC(C)(c1ccccc1)c1cc2ccc1o2.CCOCC.
What is the InChIKey of ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is ADGSNZOEEYUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C4H10O/c1-15(2,11-6-4-3-5-7-11)13-10-12-8-9-14(13)16-12;1-3-5-4-2/h3-10H,1-2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 284.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(2-phenylpropan-2-yl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 18943236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).