1,1'-biphenyl;cyclooctanone

C20H24O — CID 90108767

IUPAC1,1'-biphenyl;cyclooctanone
SMILESO=C1CCCCCCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H14O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-8-6-4-2-1-3-5-7-8/h1-10H;1-7H2
InChIKeyCJENEHPGASDUTK-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.65
Rot. Bonds1

About 1,1'-biphenyl;cyclooctanone

1,1'-biphenyl;cyclooctanone (PubChem CID 90108767) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1,1'-biphenyl;cyclooctanone.

Molecular Properties

Compound Name1,1'-biphenyl;cyclooctanone
PubChem CID90108767
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1,1'-biphenyl;cyclooctanone
SMILESO=C1CCCCCCC1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H14O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-8-6-4-2-1-3-5-7-8/h1-10H;1-7H2
InChIKeyCJENEHPGASDUTK-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1'-biphenyl;cyclooctanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;cyclooctanone?
The IUPAC name of 1,1'-biphenyl;cyclooctanone (CID 90108767) is 1,1'-biphenyl;cyclooctanone.
What is the SMILES notation for 1,1'-biphenyl;cyclooctanone?
The canonical SMILES for 1,1'-biphenyl;cyclooctanone is O=C1CCCCCCC1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;cyclooctanone?
The InChIKey is CJENEHPGASDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H14O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;9-8-6-4-2-1-3-5-7-8/h1-10H;1-7H2.
What are the key properties of 1,1'-biphenyl;cyclooctanone?
1,1'-biphenyl;cyclooctanone has a molecular weight of 280.41 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;cyclooctanone is sourced from PubChem (CID 90108767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).