ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate

C12H15BrO4 — CID 117487970

IUPACethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(Br)cccc1COC
InChIInChI=1S/C12H15BrO4/c1-3-17-12(15)11(14)10-8(7-16-2)5-4-6-9(10)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyGUKMWNSUAKKWQZ-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.19
Rot. Bonds5

About ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate

ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117487970) has the molecular formula C12H15BrO4 and a molecular weight of 303.15 g/mol. Its IUPAC name is ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117487970
Molecular FormulaC12H15BrO4
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Nameethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(Br)cccc1COC
InChIInChI=1S/C12H15BrO4/c1-3-17-12(15)11(14)10-8(7-16-2)5-4-6-9(10)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyGUKMWNSUAKKWQZ-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117490533
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117404297
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117490283
1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117358994
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
3-[2-bromo-6-(methoxymethyl)phenyl]propanoic acid
CID 117435039

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117487970) is ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1c(Br)cccc1COC.
What is the InChIKey of ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is GUKMWNSUAKKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO4/c1-3-17-12(15)11(14)10-8(7-16-2)5-4-6-9(10)13/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate has a molecular weight of 303.15 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117487970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).