ethyl 2-bromo-2-(4-hydroxyphenyl)acetate

C10H11BrO3 — CID 88979124

IUPACethyl 2-bromo-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(Br)c1ccc(O)cc1
InChIInChI=1S/C10H11BrO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9,12H,2H2,1H3
InChIKeyMWPDFPDXUOZKJF-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.39
Rot. Bonds3

About ethyl 2-bromo-2-(4-hydroxyphenyl)acetate

ethyl 2-bromo-2-(4-hydroxyphenyl)acetate (PubChem CID 88979124) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-bromo-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-(4-hydroxyphenyl)acetate
PubChem CID88979124
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Nameethyl 2-bromo-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(Br)c1ccc(O)cc1
InChIInChI=1S/C10H11BrO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9,12H,2H2,1H3
InChIKeyMWPDFPDXUOZKJF-UHFFFAOYSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-(4-aminophenyl)-2-bromoacetate
CID 97296459
ethyl 2-bromo-2-[4-(bromomethyl)phenyl]acetate
CID 171340266
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-bromo-2-(4-bromo-3-fluorophenyl)acetate
CID 166470674
diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
CID 10265664
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
ethyl 2-bromo-2-(4-cyclopropylsulfonylphenyl)acetate
CID 59610021
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287
ethyl 2-bromo-2-(3-propylphenyl)acetate
CID 142810872

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-(4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-bromo-2-(4-hydroxyphenyl)acetate (CID 88979124) is ethyl 2-bromo-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-bromo-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-bromo-2-(4-hydroxyphenyl)acetate is CCOC(=O)C(Br)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-bromo-2-(4-hydroxyphenyl)acetate?
The InChIKey is MWPDFPDXUOZKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9,12H,2H2,1H3.
What are the key properties of ethyl 2-bromo-2-(4-hydroxyphenyl)acetate?
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate has a molecular weight of 259.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 88979124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).