3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene

C19H18O2 — CID 171974524

IUPAC3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc(Oc3ccccc3)cc2)CC2CCC1O2
InChIInChI=1S/C19H18O2/c1-2-4-16(5-3-1)20-17-8-6-14(7-9-17)15-12-18-10-11-19(13-15)21-18/h1-9,12,18-19H,10-11,13H2
InChIKeyOJKOMHNIIQZFQN-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.81
Rot. Bonds3

About 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene

3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 171974524) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID171974524
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc(Oc3ccccc3)cc2)CC2CCC1O2
InChIInChI=1S/C19H18O2/c1-2-4-16(5-3-1)20-17-8-6-14(7-9-17)15-12-18-10-11-19(13-15)21-18/h1-9,12,18-19H,10-11,13H2
InChIKeyOJKOMHNIIQZFQN-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (CID 171974524) is 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is C1=C(c2ccc(Oc3ccccc3)cc2)CC2CCC1O2.
What is the InChIKey of 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is OJKOMHNIIQZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-4-16(5-3-1)20-17-8-6-14(7-9-17)15-12-18-10-11-19(13-15)21-18/h1-9,12,18-19H,10-11,13H2.
What are the key properties of 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 278.35 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171974524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).