ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate

C12H15BrO3 — CID 117463051

IUPACethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Br)cc(CC)c1
InChIInChI=1S/C12H15BrO3/c1-3-8-5-9(7-10(13)6-8)11(14)12(15)16-4-2/h5-7,11,14H,3-4H2,1-2H3
InChIKeyDMWGWSDCPLIKMY-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.61
Rot. Bonds4

About ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate

ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate (PubChem CID 117463051) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate
PubChem CID117463051
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Nameethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Br)cc(CC)c1
InChIInChI=1S/C12H15BrO3/c1-3-8-5-9(7-10(13)6-8)11(14)12(15)16-4-2/h5-7,11,14H,3-4H2,1-2H3
InChIKeyDMWGWSDCPLIKMY-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
1-(3-bromo-5-ethylphenyl)ethanol
CID 84692416
2-amino-1-(3-bromo-5-ethylphenyl)ethanol
CID 84704335
ethyl 2-(3-amino-5-bromophenyl)propanoate
CID 134632786
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-amino-3-(3-bromo-5-methylphenyl)propanoate
CID 5109385
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetate
CID 117420956
ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117329427
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
2-(3-bromo-5-ethylphenyl)propanal
CID 134639873
ethyl 2-(3-bromo-4-propan-2-ylphenyl)-2-hydroxyacetate
CID 117485139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate (CID 117463051) is ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(Br)cc(CC)c1.
What is the InChIKey of ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate?
The InChIKey is DMWGWSDCPLIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-3-8-5-9(7-10(13)6-8)11(14)12(15)16-4-2/h5-7,11,14H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate?
ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate has a molecular weight of 287.15 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-5-ethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117463051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).