ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate

C10H11BrO4 — CID 117439456

IUPACethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Br)ccc1O
InChIInChI=1S/C10H11BrO4/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5,9,12-13H,2H2,1H3
InChIKeyVSUSVOFCBDNXTB-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.75
Rot. Bonds3

About ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate

ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117439456) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117439456
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Nameethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Br)ccc1O
InChIInChI=1S/C10H11BrO4/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5,9,12-13H,2H2,1H3
InChIKeyVSUSVOFCBDNXTB-UHFFFAOYSA-N
XLogP1.75
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetate;trimethylsilylformonitrile
CID 158190195
ethyl 4-[1-(5-bromo-2-hydroxyphenyl)propylamino]butanoate
CID 64580649
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
2-[(1R)-1-amino-2-methylbutyl]-4-bromophenol;hydrochloride
CID 171198644
(E,4R,5R)-5-(5-bromo-2-hydroxyphenyl)-4-ethoxy-5-hydroxypent-2-enoic acid
CID 23920367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate (CID 117439456) is ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(Br)ccc1O.
What is the InChIKey of ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is VSUSVOFCBDNXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5,9,12-13H,2H2,1H3.
What are the key properties of ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 275.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).