3-phenylbicyclo[3.1.0]hex-2-ene

C12H12 — CID 13395700

IUPAC3-phenylbicyclo[3.1.0]hex-2-ene
SMILESC1=C(c2ccccc2)CC2CC12
InChIInChI=1S/C12H12/c1-2-4-9(5-3-1)10-6-11-8-12(11)7-10/h1-6,11-12H,7-8H2
InChIKeyFZYJTGNYYUEFLC-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.11
Rot. Bonds1

About 3-phenylbicyclo[3.1.0]hex-2-ene

3-phenylbicyclo[3.1.0]hex-2-ene (PubChem CID 13395700) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-phenylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name3-phenylbicyclo[3.1.0]hex-2-ene
PubChem CID13395700
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name3-phenylbicyclo[3.1.0]hex-2-ene
SMILESC1=C(c2ccccc2)CC2CC12
InChIInChI=1S/C12H12/c1-2-4-9(5-3-1)10-6-11-8-12(11)7-10/h1-6,11-12H,7-8H2
InChIKeyFZYJTGNYYUEFLC-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 3-phenylbicyclo[3.1.0]hex-2-ene (CID 13395700) is 3-phenylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 3-phenylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 3-phenylbicyclo[3.1.0]hex-2-ene is C1=C(c2ccccc2)CC2CC12.
What is the InChIKey of 3-phenylbicyclo[3.1.0]hex-2-ene?
The InChIKey is FZYJTGNYYUEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-2-4-9(5-3-1)10-6-11-8-12(11)7-10/h1-6,11-12H,7-8H2.
What are the key properties of 3-phenylbicyclo[3.1.0]hex-2-ene?
3-phenylbicyclo[3.1.0]hex-2-ene has a molecular weight of 156.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 13395700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).