ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate

C11H12BrClO2 — CID 2313752

IUPACethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
SMILESCCOC(=O)[C@H](Br)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12BrClO2/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3/t10-/m1/s1
InChIKeyLJWCKJMAANUMCJ-SNVBAGLBSA-N
MW291.57 g/mol
LogP3.21
Rot. Bonds4

About ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate

ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate (PubChem CID 2313752) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
PubChem CID2313752
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Nameethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
SMILESCCOC(=O)[C@H](Br)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12BrClO2/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3/t10-/m1/s1
InChIKeyLJWCKJMAANUMCJ-SNVBAGLBSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
2-bromo-1-(4-chlorophenyl)pentan-3-one
CID 62396030
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938
ethyl 3-(4-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 11001050
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684
ethyl 4-bromo-5-(4-chlorophenyl)-5-oxopentanoate
CID 18671703
ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
ethyl 2-[(4-chlorophenyl)methylsulfanyl]propanoate
CID 20542836
diethyl 2-[3-(4-chlorophenyl)propyl]propanedioate
CID 54537439
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate?
The IUPAC name of ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate (CID 2313752) is ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate is CCOC(=O)[C@H](Br)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate?
The InChIKey is LJWCKJMAANUMCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate?
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate has a molecular weight of 291.57 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 2313752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).