4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one

C23H28Br2O — CID 141224768

IUPAC4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one
SMILESCC(C)CC(C(=O)C(CC(C)C)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C23H28Br2O/c1-15(2)13-19(17-9-5-7-11-21(17)24)23(26)20(14-16(3)4)18-10-6-8-12-22(18)25/h5-12,15-16,19-20H,13-14H2,1-4H3
InChIKeyOWJGACRFVVASJF-UHFFFAOYSA-N
MW480.28 g/mol
LogP7.74
Rot. Bonds8

About 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one

4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one (PubChem CID 141224768) has the molecular formula C23H28Br2O and a molecular weight of 480.28 g/mol. Its IUPAC name is 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one.

Molecular Properties

Compound Name4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one
PubChem CID141224768
Molecular FormulaC23H28Br2O
Molecular Weight480.28 g/mol
Exact Mass478.05
IUPAC Name4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one
SMILESCC(C)CC(C(=O)C(CC(C)C)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C23H28Br2O/c1-15(2)13-19(17-9-5-7-11-21(17)24)23(26)20(14-16(3)4)18-10-6-8-12-22(18)25/h5-12,15-16,19-20H,13-14H2,1-4H3
InChIKeyOWJGACRFVVASJF-UHFFFAOYSA-N
XLogP7.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.28
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-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

3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766
1-(2-bromophenyl)-1-hydroxybutan-2-one
CID 51032688
1-(2-bromophenyl)ethyl propanoate
CID 174661782
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
[1-(2-bromophenyl)-3-methylbutyl]hydrazine
CID 105208508
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-(2-bromophenyl)-5,5-dimethylhexanoic acid
CID 79439814
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
2-(2-bromophenyl)-4-propylsulfonylbutanoic acid
CID 106727852

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one?
The IUPAC name of 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one (CID 141224768) is 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one.
What is the SMILES notation for 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one?
The canonical SMILES for 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one is CC(C)CC(C(=O)C(CC(C)C)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one?
The InChIKey is OWJGACRFVVASJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Br2O/c1-15(2)13-19(17-9-5-7-11-21(17)24)23(26)20(14-16(3)4)18-10-6-8-12-22(18)25/h5-12,15-16,19-20H,13-14H2,1-4H3.
What are the key properties of 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one?
4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one has a molecular weight of 480.28 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-bromophenyl)-2,8-dimethylnonan-5-one is sourced from PubChem (CID 141224768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).