2-bromo-1-(3,5-dichlorophenyl)pentan-3-one

C11H11BrCl2O — CID 62395360

IUPAC2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
SMILESCCC(=O)C(Br)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11BrCl2O/c1-2-11(15)10(12)5-7-3-8(13)6-9(14)4-7/h3-4,6,10H,2,5H2,1H3
InChIKeySOZDCCVPJPKKCP-UHFFFAOYSA-N
MW310.02 g/mol
LogP4.28
Rot. Bonds4

About 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one

2-bromo-1-(3,5-dichlorophenyl)pentan-3-one (PubChem CID 62395360) has the molecular formula C11H11BrCl2O and a molecular weight of 310.02 g/mol. Its IUPAC name is 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one.

Molecular Properties

Compound Name2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
PubChem CID62395360
Molecular FormulaC11H11BrCl2O
Molecular Weight310.02 g/mol
Exact Mass307.94
IUPAC Name2-bromo-1-(3,5-dichlorophenyl)pentan-3-one
SMILESCCC(=O)C(Br)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11BrCl2O/c1-2-11(15)10(12)5-7-3-8(13)6-9(14)4-7/h3-4,6,10H,2,5H2,1H3
InChIKeySOZDCCVPJPKKCP-UHFFFAOYSA-N
XLogP4.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(4-chlorophenyl)pentan-3-one
CID 62396030
2-bromo-1-(3-bromo-5-methylphenyl)pentan-3-one
CID 107579197
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
2-bromo-1-(4-butylphenyl)pentan-3-one
CID 55071733
3-bromo-4-[3-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 116700838
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
1-[3-chloro-5-(2-methylpropyl)phenyl]-3-methylbutan-2-one
CID 176774889
4-bromohexan-3-one
CID 119097290
2-bromo-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-3-one
CID 116700840
2-bromo-1-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-3-one
CID 116700834
2-bromo-1-(3,4-dichlorophenyl)hexan-3-one
CID 62394460

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one?
The IUPAC name of 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one (CID 62395360) is 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one.
What is the SMILES notation for 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one?
The canonical SMILES for 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one is CCC(=O)C(Br)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one?
The InChIKey is SOZDCCVPJPKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2O/c1-2-11(15)10(12)5-7-3-8(13)6-9(14)4-7/h3-4,6,10H,2,5H2,1H3.
What are the key properties of 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one?
2-bromo-1-(3,5-dichlorophenyl)pentan-3-one has a molecular weight of 310.02 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3,5-dichlorophenyl)pentan-3-one is sourced from PubChem (CID 62395360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).