9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

C15H8BrClO — CID 15628522

IUPAC9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESO=c1c2ccccc2cc(Br)c2ccc(Cl)cc12
InChIInChI=1S/C15H8BrClO/c16-14-7-9-3-1-2-4-11(9)15(18)13-8-10(17)5-6-12(13)14/h1-8H
InChIKeyRGTBIADCDBYLQN-UHFFFAOYSA-N
MW319.59 g/mol
LogP4.77
Rot. Bonds

About 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (PubChem CID 15628522) has the molecular formula C15H8BrClO and a molecular weight of 319.59 g/mol. Its IUPAC name is 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.

Molecular Properties

Compound Name9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
PubChem CID15628522
Molecular FormulaC15H8BrClO
Molecular Weight319.59 g/mol
Exact Mass317.94
IUPAC Name9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
SMILESO=c1c2ccccc2cc(Br)c2ccc(Cl)cc12
InChIInChI=1S/C15H8BrClO/c16-14-7-9-3-1-2-4-11(9)15(18)13-8-10(17)5-6-12(13)14/h1-8H
InChIKeyRGTBIADCDBYLQN-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The IUPAC name of 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one (CID 15628522) is 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.
What is the SMILES notation for 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The canonical SMILES for 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is O=c1c2ccccc2cc(Br)c2ccc(Cl)cc12.
What is the InChIKey of 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
The InChIKey is RGTBIADCDBYLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClO/c16-14-7-9-3-1-2-4-11(9)15(18)13-8-10(17)5-6-12(13)14/h1-8H.
What are the key properties of 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one?
9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one has a molecular weight of 319.59 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one is sourced from PubChem (CID 15628522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).