methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate

C16H13BrCl2O2 — CID 125467743

IUPACmethyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C16H13BrCl2O2/c1-21-16(20)13(12-4-2-3-5-14(12)17)8-10-6-7-11(18)9-15(10)19/h2-7,9,13H,8H2,1H3/t13-/m1/s1
InChIKeyALXXSMSZIKJKKA-CYBMUJFWSA-N
MW388.09 g/mol
LogP5.26
Rot. Bonds4

About methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate

methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate (PubChem CID 125467743) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate
PubChem CID125467743
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Namemethyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C16H13BrCl2O2/c1-21-16(20)13(12-4-2-3-5-14(12)17)8-10-6-7-11(18)9-15(10)19/h2-7,9,13H,8H2,1H3/t13-/m1/s1
InChIKeyALXXSMSZIKJKKA-CYBMUJFWSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
methyl (2S)-4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butanoate
CID 125465921
methyl (2S)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenyl)propanoate
CID 6977133
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
[1-(5-chloro-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105200255
methyl 2-(2-bromophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117244222
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
methyl 2-(2,4-dichlorophenyl)-5-(2,4,6-tribromophenoxy)pentanoate
CID 23315409
1-(2-bromo-5-methoxyphenyl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 105132934
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate (CID 125467743) is methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate is COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Br.
What is the InChIKey of methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate?
The InChIKey is ALXXSMSZIKJKKA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-21-16(20)13(12-4-2-3-5-14(12)17)8-10-6-7-11(18)9-15(10)19/h2-7,9,13H,8H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate?
methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate has a molecular weight of 388.09 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-bromophenyl)-3-(2,4-dichlorophenyl)propanoate is sourced from PubChem (CID 125467743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).