7-benzhydrylidenebicyclo[2.2.1]heptan-2-one

C20H18O — CID 13452439

IUPAC7-benzhydrylidenebicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1C2=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O/c21-18-13-16-11-12-17(18)20(16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyVYCKIIWVGXTFNA-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.49
Rot. Bonds2

About 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one

7-benzhydrylidenebicyclo[2.2.1]heptan-2-one (PubChem CID 13452439) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7-benzhydrylidenebicyclo[2.2.1]heptan-2-one
PubChem CID13452439
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name7-benzhydrylidenebicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CCC1C2=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18O/c21-18-13-16-11-12-17(18)20(16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyVYCKIIWVGXTFNA-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one (CID 13452439) is 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one is O=C1CC2CCC1C2=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one?
The InChIKey is VYCKIIWVGXTFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c21-18-13-16-11-12-17(18)20(16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one?
7-benzhydrylidenebicyclo[2.2.1]heptan-2-one has a molecular weight of 274.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydrylidenebicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 13452439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).