1-[2-bromo-6-(methoxymethyl)phenyl]ethanone

C10H11BrO2 — CID 117358994

IUPAC1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cccc(Br)c1C(C)=O
InChIInChI=1S/C10H11BrO2/c1-7(12)10-8(6-13-2)4-3-5-9(10)11/h3-5H,6H2,1-2H3
InChIKeyLVPVCGMVQWMTKD-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.80
Rot. Bonds3

About 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone

1-[2-bromo-6-(methoxymethyl)phenyl]ethanone (PubChem CID 117358994) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
PubChem CID117358994
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cccc(Br)c1C(C)=O
InChIInChI=1S/C10H11BrO2/c1-7(12)10-8(6-13-2)4-3-5-9(10)11/h3-5H,6H2,1-2H3
InChIKeyLVPVCGMVQWMTKD-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
methyl 2-bromo-6-(2-oxopropyl)benzoate
CID 134648674
3-[2-bromo-6-(methoxymethyl)phenyl]propanoic acid
CID 117435039
ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117487970
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
1-(2,6-diethylphenyl)ethanone
CID 14939611
5-[2-bromo-6-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496614
1-[3-fluoro-2,4,6-tris(methoxymethyl)phenyl]ethanone
CID 88656859
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
(2-bromophenyl)methyl 2-(methylamino)acetate
CID 82824076

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone (CID 117358994) is 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone is COCc1cccc(Br)c1C(C)=O.
What is the InChIKey of 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
The InChIKey is LVPVCGMVQWMTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7(12)10-8(6-13-2)4-3-5-9(10)11/h3-5H,6H2,1-2H3.
What are the key properties of 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone?
1-[2-bromo-6-(methoxymethyl)phenyl]ethanone has a molecular weight of 243.10 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 117358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).