9-bromobenzo[a]phenalen-7-one

C17H9BrO — CID 118565290

IUPAC9-bromobenzo[a]phenalen-7-one
SMILESO=C1c2cc(Br)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C17H9BrO/c18-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)17(19)15(12)9-11/h1-9H
InChIKeyOIZXQJHBELBWDA-UHFFFAOYSA-N
MW309.16 g/mol
LogP4.81
Rot. Bonds

About 9-bromobenzo[a]phenalen-7-one

9-bromobenzo[a]phenalen-7-one (PubChem CID 118565290) has the molecular formula C17H9BrO and a molecular weight of 309.16 g/mol. Its IUPAC name is 9-bromobenzo[a]phenalen-7-one.

Molecular Properties

Compound Name9-bromobenzo[a]phenalen-7-one
PubChem CID118565290
Molecular FormulaC17H9BrO
Molecular Weight309.16 g/mol
Exact Mass307.98
IUPAC Name9-bromobenzo[a]phenalen-7-one
SMILESO=C1c2cc(Br)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C17H9BrO/c18-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)17(19)15(12)9-11/h1-9H
InChIKeyOIZXQJHBELBWDA-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-bromobenzo[a]phenalen-7-one?
The IUPAC name of 9-bromobenzo[a]phenalen-7-one (CID 118565290) is 9-bromobenzo[a]phenalen-7-one.
What is the SMILES notation for 9-bromobenzo[a]phenalen-7-one?
The canonical SMILES for 9-bromobenzo[a]phenalen-7-one is O=C1c2cc(Br)ccc2-c2cccc3cccc1c23.
What is the InChIKey of 9-bromobenzo[a]phenalen-7-one?
The InChIKey is OIZXQJHBELBWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrO/c18-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)17(19)15(12)9-11/h1-9H.
What are the key properties of 9-bromobenzo[a]phenalen-7-one?
9-bromobenzo[a]phenalen-7-one has a molecular weight of 309.16 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromobenzo[a]phenalen-7-one is sourced from PubChem (CID 118565290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).