5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one

C15H11BrO — CID 12909391

IUPAC5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
SMILESO=C1c2ccccc2CCc2ccc(Br)cc21
InChIInChI=1S/C15H11BrO/c16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12/h1-4,7-9H,5-6H2
InChIKeyHYKKSGGCBKGVQG-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.78
Rot. Bonds

About 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one

5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one (PubChem CID 12909391) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one.

Molecular Properties

Compound Name5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
PubChem CID12909391
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
SMILESO=C1c2ccccc2CCc2ccc(Br)cc21
InChIInChI=1S/C15H11BrO/c16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12/h1-4,7-9H,5-6H2
InChIKeyHYKKSGGCBKGVQG-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one 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 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
The IUPAC name of 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one (CID 12909391) is 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one.
What is the SMILES notation for 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
The canonical SMILES for 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one is O=C1c2ccccc2CCc2ccc(Br)cc21.
What is the InChIKey of 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
The InChIKey is HYKKSGGCBKGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO/c16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12/h1-4,7-9H,5-6H2.
What are the key properties of 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one?
5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one has a molecular weight of 287.16 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one is sourced from PubChem (CID 12909391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).