1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one

C10H10BrClO2 — CID 83224628

IUPAC1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO2/c1-6(13)10(14-2)8-4-3-7(12)5-9(8)11/h3-5,10H,1-2H3
InChIKeyAHRMGPSIJJPLLB-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one

1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one (PubChem CID 83224628) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
PubChem CID83224628
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO2/c1-6(13)10(14-2)8-4-3-7(12)5-9(8)11/h3-5,10H,1-2H3
InChIKeyAHRMGPSIJJPLLB-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-1-ethoxypropan-2-one
CID 83225478
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
diethyl 2-(2-bromo-4-chlorophenyl)propanedioate
CID 177019430
methyl 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanoate
CID 171896669
1-(2-bromo-5-chlorophenyl)-1-propoxypropan-2-one
CID 83226422
1-(4-bromo-3-fluorophenyl)-1-methoxypropan-2-one
CID 83224753
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 83226646
ethyl (3R)-3-amino-3-(2-bromo-4-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171240944
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one (CID 83224628) is 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one is COC(C(C)=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one?
The InChIKey is AHRMGPSIJJPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6(13)10(14-2)8-4-3-7(12)5-9(8)11/h3-5,10H,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one?
1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one has a molecular weight of 277.55 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 83224628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).