ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate

C10H11BrO3 — CID 94376499

IUPACethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m0/s1
InChIKeyQZIWCBLMZYKXPR-VIFPVBQESA-N
MW259.10 g/mol
LogP2.05
Rot. Bonds3

About ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate

ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate (PubChem CID 94376499) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
PubChem CID94376499
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Nameethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m0/s1
InChIKeyQZIWCBLMZYKXPR-VIFPVBQESA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl (Z)-2-[(R)-(4-bromophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 101469464
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl 2-(4-bromophenyl)-2-ethoxyacetate
CID 12714669
2-(4-bromophenyl)-3-ethoxy-3-oxopropanoic acid
CID 23372308
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate (CID 94376499) is ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate is CCOC(=O)[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
The InChIKey is QZIWCBLMZYKXPR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate?
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate has a molecular weight of 259.10 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate is sourced from PubChem (CID 94376499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).