ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate

C11H11BrO3 — CID 67118147

IUPACethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate
SMILESCCOC(=O)/C(O)=C/c1ccccc1Br
InChIInChI=1S/C11H11BrO3/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-7,13H,2H2,1H3/b10-7-
InChIKeyWUNONXYYNQRTGM-YFHOEESVSA-N
MW271.11 g/mol
LogP2.91
Rot. Bonds3

About ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate

ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate (PubChem CID 67118147) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate
PubChem CID67118147
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Nameethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate
SMILESCCOC(=O)/C(O)=C/c1ccccc1Br
InChIInChI=1S/C11H11BrO3/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-7,13H,2H2,1H3/b10-7-
InChIKeyWUNONXYYNQRTGM-YFHOEESVSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-bromophenyl)-2-(2-hydroxyphenyl)prop-2-enoate
CID 135077471
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
dimethyl 2-[(2-bromophenyl)methylidene]propanedioate
CID 121015852
ethyl (Z)-2-amino-3-(3-bromo-2-methoxyphenyl)prop-2-enoate
CID 144511366
ethyl (E)-2-benzoyl-3-(4-bromophenyl)prop-2-enoate
CID 5388477
ethyl (Z)-3-[2-(3-chloro-N-methylanilino)phenyl]-2-hydroxyprop-2-enoate
CID 102049965
methyl (Z)-2-(bromomethyl)-3-(2-bromophenyl)prop-2-enoate
CID 46848449
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (Z)-2-amino-3-(2-methylphenyl)prop-2-enoate
CID 12904653
sodium ethyl (Z)-2-hydroxy-3-(3-methylquinoxalin-2-yl)prop-2-enoate
CID 135539780
ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
ethyl (Z)-3-(5-bromo-4-methoxy-2-nitrophenyl)-2-hydroxyprop-2-enoate
CID 5475329

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate (CID 67118147) is ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate is CCOC(=O)/C(O)=C/c1ccccc1Br.
What is the InChIKey of ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate?
The InChIKey is WUNONXYYNQRTGM-YFHOEESVSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-7,13H,2H2,1H3/b10-7-.
What are the key properties of ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate?
ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate has a molecular weight of 271.11 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2-bromophenyl)-2-hydroxyprop-2-enoate is sourced from PubChem (CID 67118147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).