ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate

C11H11BrCl2O2 — CID 2313836

IUPACethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
SMILESCCOC(=O)[C@H](Br)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H11BrCl2O2/c1-2-16-11(15)8(12)6-7-4-3-5-9(13)10(7)14/h3-5,8H,2,6H2,1H3/t8-/m1/s1
InChIKeySIGDZXDGPOBXLP-MRVPVSSYSA-N
MW326.02 g/mol
LogP3.86
Rot. Bonds4

About ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate

ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate (PubChem CID 2313836) has the molecular formula C11H11BrCl2O2 and a molecular weight of 326.02 g/mol. Its IUPAC name is ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
PubChem CID2313836
Molecular FormulaC11H11BrCl2O2
Molecular Weight326.02 g/mol
Exact Mass323.93
IUPAC Nameethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate
SMILESCCOC(=O)[C@H](Br)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C11H11BrCl2O2/c1-2-16-11(15)8(12)6-7-4-3-5-9(13)10(7)14/h3-5,8H,2,6H2,1H3/t8-/m1/s1
InChIKeySIGDZXDGPOBXLP-MRVPVSSYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.02
LogP ≤ 53.86
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

3-bromo-4-(2,3-dichlorophenyl)butan-2-one
CID 62394098
3-[(2,3-dichlorophenyl)methyl]pentan-2-one
CID 107307026
ethyl 2-bromo-3-(5-chloro-2-fluorophenyl)propanoate
CID 83197938
ethyl (2R)-2-bromo-3-(4-chlorophenyl)propanoate
CID 2313752
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
1-(2,3-dichlorophenyl)hexane-2,3-diol
CID 107308307
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-one
CID 107308023
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
1-(2,3-dichlorophenyl)-3-ethoxyhexan-2-amine
CID 107309069
ethyl 4-(2,3-dichlorophenyl)-2,2-dimethylbutanoate
CID 58488980

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate?
The IUPAC name of ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate (CID 2313836) is ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate is CCOC(=O)[C@H](Br)Cc1cccc(Cl)c1Cl.
What is the InChIKey of ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate?
The InChIKey is SIGDZXDGPOBXLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11BrCl2O2/c1-2-16-11(15)8(12)6-7-4-3-5-9(13)10(7)14/h3-5,8H,2,6H2,1H3/t8-/m1/s1.
What are the key properties of ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate?
ethyl (2R)-2-bromo-3-(2,3-dichlorophenyl)propanoate has a molecular weight of 326.02 g/mol, XLogP of 3.86, 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-(2,3-dichlorophenyl)propanoate is sourced from PubChem (CID 2313836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).