ethyl 2-[(3-bromophenyl)methoxy]propanoate

C12H15BrO3 — CID 82827861

IUPACethyl 2-[(3-bromophenyl)methoxy]propanoate
SMILESCCOC(=O)C(C)OCc1cccc(Br)c1
InChIInChI=1S/C12H15BrO3/c1-3-15-12(14)9(2)16-8-10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3
InChIKeySTMXEJQPNUDGTF-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.92
Rot. Bonds5

About ethyl 2-[(3-bromophenyl)methoxy]propanoate

ethyl 2-[(3-bromophenyl)methoxy]propanoate (PubChem CID 82827861) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is ethyl 2-[(3-bromophenyl)methoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-bromophenyl)methoxy]propanoate
PubChem CID82827861
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Nameethyl 2-[(3-bromophenyl)methoxy]propanoate
SMILESCCOC(=O)C(C)OCc1cccc(Br)c1
InChIInChI=1S/C12H15BrO3/c1-3-15-12(14)9(2)16-8-10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3
InChIKeySTMXEJQPNUDGTF-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methoxy]propanoic acid
CID 82828681
(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
CID 104875834
4-[(3-bromophenyl)methoxy]pentan-2-one
CID 82826907
ethyl (2R)-5-(3-bromophenyl)-2-methyl-3-oxopentanoate
CID 129395805
(3-bromophenyl)methyl 2-aminopentanoate
CID 82824771
(3-bromophenyl)methyl (2R)-2-aminobutanoate
CID 82823732
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
CID 82827786
ethyl 2-[(3-bromophenyl)methylamino]butanoate
CID 64669533
ethyl 2-[(3-bromophenyl)methyl]-3-(methylamino)propanoate
CID 44890952
(3-bromophenyl)methyl (2R)-2-amino-3,3-dimethylbutanoate
CID 113353141
ethyl (2S)-2-[(3-bromophenyl)methyl]-6-hydroxyhexanoate
CID 129383991

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromophenyl)methoxy]propanoate?
The IUPAC name of ethyl 2-[(3-bromophenyl)methoxy]propanoate (CID 82827861) is ethyl 2-[(3-bromophenyl)methoxy]propanoate.
What is the SMILES notation for ethyl 2-[(3-bromophenyl)methoxy]propanoate?
The canonical SMILES for ethyl 2-[(3-bromophenyl)methoxy]propanoate is CCOC(=O)C(C)OCc1cccc(Br)c1.
What is the InChIKey of ethyl 2-[(3-bromophenyl)methoxy]propanoate?
The InChIKey is STMXEJQPNUDGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-3-15-12(14)9(2)16-8-10-5-4-6-11(13)7-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(3-bromophenyl)methoxy]propanoate?
ethyl 2-[(3-bromophenyl)methoxy]propanoate has a molecular weight of 287.15 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromophenyl)methoxy]propanoate is sourced from PubChem (CID 82827861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).