3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene

C19H18O — CID 171974780

IUPAC3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2-c2ccccc2)CC2CCC1O2
InChIInChI=1S/C19H18O/c1-2-6-14(7-3-1)18-8-4-5-9-19(18)15-12-16-10-11-17(13-15)20-16/h1-9,12,16-17H,10-11,13H2
InChIKeyNJTXJHVSIWWIJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.69
Rot. Bonds2

About 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene

3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 171974780) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID171974780
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2-c2ccccc2)CC2CCC1O2
InChIInChI=1S/C19H18O/c1-2-6-14(7-3-1)18-8-4-5-9-19(18)15-12-16-10-11-17(13-15)20-16/h1-9,12,16-17H,10-11,13H2
InChIKeyNJTXJHVSIWWIJK-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (CID 171974780) is 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2-c2ccccc2)CC2CCC1O2.
What is the InChIKey of 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is NJTXJHVSIWWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-6-14(7-3-1)18-8-4-5-9-19(18)15-12-16-10-11-17(13-15)20-16/h1-9,12,16-17H,10-11,13H2.
What are the key properties of 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 262.35 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171974780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).