8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one

C14H10O — CID 14617627

IUPAC8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESO=C1c2ccccc2C1c1ccccc1
InChIInChI=1S/C14H10O/c15-14-12-9-5-4-8-11(12)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyZZBOLCDBGHUBEN-UHFFFAOYSA-N
MW194.23 g/mol
LogP3.01
Rot. Bonds1

About 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one

8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one (PubChem CID 14617627) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one.

Molecular Properties

Compound Name8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
PubChem CID14617627
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Name8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESO=C1c2ccccc2C1c1ccccc1
InChIInChI=1S/C14H10O/c15-14-12-9-5-4-8-11(12)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyZZBOLCDBGHUBEN-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
The IUPAC name of 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one (CID 14617627) is 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one.
What is the SMILES notation for 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
The canonical SMILES for 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one is O=C1c2ccccc2C1c1ccccc1.
What is the InChIKey of 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
The InChIKey is ZZBOLCDBGHUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O/c15-14-12-9-5-4-8-11(12)13(14)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one has a molecular weight of 194.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one is sourced from PubChem (CID 14617627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).