methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate

C10H10BrClO3 — CID 40721204

IUPACmethyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3/t6-/m1/s1
InChIKeyFGBCOQCYXROEDG-ZCFIWIBFSA-N
MW293.54 g/mol
LogP3.04
Rot. Bonds3

About methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate

methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate (PubChem CID 40721204) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
PubChem CID40721204
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Namemethyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
SMILESCOC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClO3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3/t6-/m1/s1
InChIKeyFGBCOQCYXROEDG-ZCFIWIBFSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
methyl (2S)-2-(2-acetyl-4-bromophenoxy)propanoate
CID 94158655
2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
4-[[(2R)-2-(4-bromo-2-chlorophenoxy)propanoyl]amino]benzamide
CID 7809676
4-(4-bromo-2-chlorophenoxy)pentanehydrazide
CID 63574538
(2S)-2-(4-bromo-2-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 2225511
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8752841

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate?
The IUPAC name of methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate (CID 40721204) is methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate?
The canonical SMILES for methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate is COC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl.
What is the InChIKey of methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate?
The InChIKey is FGBCOQCYXROEDG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate?
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate has a molecular weight of 293.54 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate is sourced from PubChem (CID 40721204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).