2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone

C10H10BrClO — CID 171008499

IUPAC2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)CBr)c1C
InChIInChI=1S/C10H10BrClO/c1-6-3-8(12)4-9(7(6)2)10(13)5-11/h3-4H,5H2,1-2H3
InChIKeyRSKAVFLXMBKQCH-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.53
Rot. Bonds2

About 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone

2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone (PubChem CID 171008499) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
PubChem CID171008499
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
SMILESCc1cc(Cl)cc(C(=O)CBr)c1C
InChIInChI=1S/C10H10BrClO/c1-6-3-8(12)4-9(7(6)2)10(13)5-11/h3-4H,5H2,1-2H3
InChIKeyRSKAVFLXMBKQCH-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.53
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-(5-chloro-4-iodo-2-methylphenyl)ethanone
CID 171004733
2-bromo-1-(3-chloro-4-fluoro-2-methylphenyl)ethanone
CID 130839411
1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one
CID 90278017
2-bromo-1-(2-hydroxy-4,5-dimethylphenyl)ethanone
CID 53441682
2-bromo-1-(5-chloro-2-methylsulfanylphenyl)ethanone
CID 22462174
2-bromo-1-[2-bromo-5-chloro-3-(trifluoromethyl)phenyl]ethanone
CID 146675850
2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
CID 171032809
1-(3-amino-2-chloro-5-methylphenyl)-2-bromoethanone
CID 171022435
1-(5-chloro-2-iodo-3-methylphenyl)ethanone
CID 171003749
5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane
CID 142017743
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone
CID 71315967

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone (CID 171008499) is 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone is Cc1cc(Cl)cc(C(=O)CBr)c1C.
What is the InChIKey of 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone?
The InChIKey is RSKAVFLXMBKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-6-3-8(12)4-9(7(6)2)10(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone?
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone has a molecular weight of 261.55 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 171008499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).