methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate

C10H11BrO4 — CID 117439457

IUPACmethyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Br)ccc(C)c1O
InChIInChI=1S/C10H11BrO4/c1-5-3-4-6(11)7(8(5)12)9(13)10(14)15-2/h3-4,9,12-13H,1-2H3
InChIKeyNCCMARPIXBGBQX-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.67
Rot. Bonds2

About methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate

methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate (PubChem CID 117439457) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
PubChem CID117439457
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Namemethyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Br)ccc(C)c1O
InChIInChI=1S/C10H11BrO4/c1-5-3-4-6(11)7(8(5)12)9(13)10(14)15-2/h3-4,9,12-13H,1-2H3
InChIKeyNCCMARPIXBGBQX-UHFFFAOYSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117434935
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117490283
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-[2,3-dihydroxy-4-(1-hydroxy-2-methoxy-2-oxoethyl)naphthalen-1-yl]-2-hydroxyacetate
CID 102213492
methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
CID 117479158
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
CID 117420065
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
methyl 2-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 117475569
methyl (2S)-2-(2-bromo-6-methyl-3-phenylmethoxyphenyl)-2-hydroxyacetate
CID 131747944

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate (CID 117439457) is methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(Br)ccc(C)c1O.
What is the InChIKey of methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate?
The InChIKey is NCCMARPIXBGBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-5-3-4-6(11)7(8(5)12)9(13)10(14)15-2/h3-4,9,12-13H,1-2H3.
What are the key properties of methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate?
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate has a molecular weight of 275.10 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117439457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).