1-(2-bromo-5-chlorophenyl)pentan-1-one

C11H12BrClO — CID 83988325

IUPAC1-(2-bromo-5-chlorophenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H12BrClO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7H,2-4H2,1H3
InChIKeyHPWJZRJTDKDILI-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.48
Rot. Bonds4

About 1-(2-bromo-5-chlorophenyl)pentan-1-one

1-(2-bromo-5-chlorophenyl)pentan-1-one (PubChem CID 83988325) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)pentan-1-one
PubChem CID83988325
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name1-(2-bromo-5-chlorophenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H12BrClO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7H,2-4H2,1H3
InChIKeyHPWJZRJTDKDILI-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)pentan-1-one
CID 83988319
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
1-(5-amino-2-bromophenyl)undecan-1-one
CID 116602809
1-(2-bromo-4,5-dimethylphenyl)pentan-1-one
CID 83949845
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114026774
1-(2-bromo-4,5-dimethoxyphenyl)pentan-1-one
CID 43161105

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)pentan-1-one?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)pentan-1-one (CID 83988325) is 1-(2-bromo-5-chlorophenyl)pentan-1-one.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)pentan-1-one?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)pentan-1-one is CCCCC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)pentan-1-one?
The InChIKey is HPWJZRJTDKDILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12/h5-7H,2-4H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)pentan-1-one?
1-(2-bromo-5-chlorophenyl)pentan-1-one has a molecular weight of 275.57 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)pentan-1-one is sourced from PubChem (CID 83988325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).