6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one

C18H14O — CID 618882

IUPAC6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one
SMILESO=C1C=CC2C1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14O/c19-16-12-11-15-17(16)18(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15,17H
InChIKeyGMFRYGQSVPUWOJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.36
Rot. Bonds2

About 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one

6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one (PubChem CID 618882) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one
PubChem CID618882
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one
SMILESO=C1C=CC2C1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H14O/c19-16-12-11-15-17(16)18(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15,17H
InChIKeyGMFRYGQSVPUWOJ-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one (CID 618882) is 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one is O=C1C=CC2C1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is GMFRYGQSVPUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c19-16-12-11-15-17(16)18(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,15,17H.
What are the key properties of 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one?
6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 246.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diphenylbicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 618882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).