8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene

C14H12O — CID 174474656

IUPAC8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
SMILESC1=CC=C(C2Oc3ccccc32)CC=C1
InChIInChI=1S/C14H12O/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13(12)15-14/h1-7,9-10,14H,8H2
InChIKeyVARQYCPZJVYOFP-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.56
Rot. Bonds1

About 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene

8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 174474656) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID174474656
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene
SMILESC1=CC=C(C2Oc3ccccc32)CC=C1
InChIInChI=1S/C14H12O/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13(12)15-14/h1-7,9-10,14H,8H2
InChIKeyVARQYCPZJVYOFP-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene (CID 174474656) is 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene is C1=CC=C(C2Oc3ccccc32)CC=C1.
What is the InChIKey of 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is VARQYCPZJVYOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-2-4-8-11(7-3-1)14-12-9-5-6-10-13(12)15-14/h1-7,9-10,14H,8H2.
What are the key properties of 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene?
8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 196.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohepta-1,3,5-trien-1-yl-7-oxabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 174474656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).