methyl 3-(2-bromo-4-chlorophenoxy)propanoate

C10H10BrClO3 — CID 43089216

IUPACmethyl 3-(2-bromo-4-chlorophenoxy)propanoate
SMILESCOC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO3/c1-14-10(13)4-5-15-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyOJZLSVOIDZGUMP-UHFFFAOYSA-N
MW293.54 g/mol
LogP3.04
Rot. Bonds4

About methyl 3-(2-bromo-4-chlorophenoxy)propanoate

methyl 3-(2-bromo-4-chlorophenoxy)propanoate (PubChem CID 43089216) has the molecular formula C10H10BrClO3 and a molecular weight of 293.54 g/mol. Its IUPAC name is methyl 3-(2-bromo-4-chlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-bromo-4-chlorophenoxy)propanoate
PubChem CID43089216
Molecular FormulaC10H10BrClO3
Molecular Weight293.54 g/mol
Exact Mass291.95
IUPAC Namemethyl 3-(2-bromo-4-chlorophenoxy)propanoate
SMILESCOC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C10H10BrClO3/c1-14-10(13)4-5-15-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyOJZLSVOIDZGUMP-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
CID 91657428
methyl 3-[2-bromo-4-(ethylaminomethyl)phenoxy]propanoate
CID 63948285
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226
2-[3-(2-bromo-4-chlorophenoxy)propanoyl-methylamino]acetic acid
CID 119346356
3-chloro-4-(3-methoxy-3-oxopropoxy)benzoic acid
CID 63947885
methyl 3-[2-(2-bromo-4-chlorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60971207
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
methyl 4-[4-(2-aminoethyl)-2-bromophenoxy]butanoate
CID 63050299
methyl 3-(3-bromo-4-propoxyphenyl)propanoate
CID 11449462

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-bromo-4-chlorophenoxy)propanoate?
The IUPAC name of methyl 3-(2-bromo-4-chlorophenoxy)propanoate (CID 43089216) is methyl 3-(2-bromo-4-chlorophenoxy)propanoate.
What is the SMILES notation for methyl 3-(2-bromo-4-chlorophenoxy)propanoate?
The canonical SMILES for methyl 3-(2-bromo-4-chlorophenoxy)propanoate is COC(=O)CCOc1ccc(Cl)cc1Br.
What is the InChIKey of methyl 3-(2-bromo-4-chlorophenoxy)propanoate?
The InChIKey is OJZLSVOIDZGUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO3/c1-14-10(13)4-5-15-9-3-2-7(12)6-8(9)11/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 3-(2-bromo-4-chlorophenoxy)propanoate?
methyl 3-(2-bromo-4-chlorophenoxy)propanoate has a molecular weight of 293.54 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-bromo-4-chlorophenoxy)propanoate is sourced from PubChem (CID 43089216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).