methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate

C11H12BrClO3 — CID 81091609

IUPACmethyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
SMILESCOC(=O)C(Br)COCc1ccccc1Cl
InChIInChI=1S/C11H12BrClO3/c1-15-11(14)9(12)7-16-6-8-4-2-3-5-10(8)13/h2-5,9H,6-7H2,1H3
InChIKeyGZNYGSBTMRXLSL-UHFFFAOYSA-N
MW307.57 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate

methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate (PubChem CID 81091609) has the molecular formula C11H12BrClO3 and a molecular weight of 307.57 g/mol. Its IUPAC name is methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
PubChem CID81091609
Molecular FormulaC11H12BrClO3
Molecular Weight307.57 g/mol
Exact Mass305.97
IUPAC Namemethyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
SMILESCOC(=O)C(Br)COCc1ccccc1Cl
InChIInChI=1S/C11H12BrClO3/c1-15-11(14)9(12)7-16-6-8-4-2-3-5-10(8)13/h2-5,9H,6-7H2,1H3
InChIKeyGZNYGSBTMRXLSL-UHFFFAOYSA-N
XLogP2.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
CID 87040393
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
3-[(2-chlorophenyl)methoxy]-2-methylpropanethioamide
CID 43368486
methyl 2-bromo-3-[(3-bromophenyl)methoxy]propanoate
CID 82828519
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
methyl 2-(benzhydrylideneamino)-3-(2-chlorophenyl)propanoate
CID 10091032
3-bromo-4-(2-chlorophenyl)butan-2-one
CID 62395500
4-[(2-chlorophenyl)methoxy]butan-2-one
CID 62030218
methyl 3-amino-4-(2-chlorophenyl)butanoate
CID 168922747

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate?
The IUPAC name of methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate (CID 81091609) is methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate?
The canonical SMILES for methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate is COC(=O)C(Br)COCc1ccccc1Cl.
What is the InChIKey of methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate?
The InChIKey is GZNYGSBTMRXLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO3/c1-15-11(14)9(12)7-16-6-8-4-2-3-5-10(8)13/h2-5,9H,6-7H2,1H3.
What are the key properties of methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate?
methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate has a molecular weight of 307.57 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate is sourced from PubChem (CID 81091609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).