3-bromobenzo[b]phenalen-7-one

C17H9BrO — CID 6696

IUPAC3-bromobenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2ccc(Br)c3cccc1c23
InChIInChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
InChIKeyWVECFEIAZAKUNF-UHFFFAOYSA-N
MW309.16 g/mol
LogP4.81
Rot. Bonds

About 3-bromobenzo[b]phenalen-7-one

3-bromobenzo[b]phenalen-7-one (PubChem CID 6696) has the molecular formula C17H9BrO and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-bromobenzo[b]phenalen-7-one.

Molecular Properties

Compound Name3-bromobenzo[b]phenalen-7-one
PubChem CID6696
Molecular FormulaC17H9BrO
Molecular Weight309.16 g/mol
Exact Mass307.98
IUPAC Name3-bromobenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2ccc(Br)c3cccc1c23
InChIInChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
InChIKeyWVECFEIAZAKUNF-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

Analyze 3-bromobenzo[b]phenalen-7-one with MolForge

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

Launch Full Analysis

Related Compounds

Benzanthrone
CID 6697
Dibenzo[b,def]chrysene-7,14-dione, dibromo-
CID 73989
7H-Benz(de)anthracen-7-one, 3,9-dibromo-
CID 66498
9-Benzoylanthracene
CID 97037
Pigment Red 168
CID 78084
3,6-Dibromophenanthrene-9,10-quinone
CID 258450
2-Bromoanthraquinone
CID 221013
7-Bromo-1,2,3,4-tetrahydronaphthalen-1-one
CID 252731
4-(4-Bromo-phenyl)-[1,2]naphthoquinone
CID 10267704
2-Bromophenanthrene-9,10-dione
CID 12678912
2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
CID 1811469
1-Bromoanthraquinone
CID 12444

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzo[b]phenalen-7-one?
The IUPAC name of 3-bromobenzo[b]phenalen-7-one (CID 6696) is 3-bromobenzo[b]phenalen-7-one.
What is the SMILES notation for 3-bromobenzo[b]phenalen-7-one?
The canonical SMILES for 3-bromobenzo[b]phenalen-7-one is O=C1c2ccccc2-c2ccc(Br)c3cccc1c23.
What is the InChIKey of 3-bromobenzo[b]phenalen-7-one?
The InChIKey is WVECFEIAZAKUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H.
What are the key properties of 3-bromobenzo[b]phenalen-7-one?
3-bromobenzo[b]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 3-bromobenzo[b]phenalen-7-one is sourced from PubChem (CID 6696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).