ethyl 2-bromo-2-(2-methoxyphenoxy)acetate

C11H13BrO4 — CID 22282008

IUPACethyl 2-bromo-2-(2-methoxyphenoxy)acetate
SMILESCCOC(=O)C(Br)Oc1ccccc1OC
InChIInChI=1S/C11H13BrO4/c1-3-15-11(13)10(12)16-9-7-5-4-6-8(9)14-2/h4-7,10H,3H2,1-2H3
InChIKeyPVSMHAYXBUCERU-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.36
Rot. Bonds5

About ethyl 2-bromo-2-(2-methoxyphenoxy)acetate

ethyl 2-bromo-2-(2-methoxyphenoxy)acetate (PubChem CID 22282008) has the molecular formula C11H13BrO4 and a molecular weight of 289.13 g/mol. Its IUPAC name is ethyl 2-bromo-2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-(2-methoxyphenoxy)acetate
PubChem CID22282008
Molecular FormulaC11H13BrO4
Molecular Weight289.13 g/mol
Exact Mass288.00
IUPAC Nameethyl 2-bromo-2-(2-methoxyphenoxy)acetate
SMILESCCOC(=O)C(Br)Oc1ccccc1OC
InChIInChI=1S/C11H13BrO4/c1-3-15-11(13)10(12)16-9-7-5-4-6-8(9)14-2/h4-7,10H,3H2,1-2H3
InChIKeyPVSMHAYXBUCERU-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl (2R,3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propanoate
CID 99864693
2-(2-methoxyphenoxy)propanediamide
CID 141374982
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
3-(2-methoxyphenoxy)pentane-2,4-dione
CID 90444810
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
diethyl 2-bromopropanedioate;toluene
CID 174851876
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-(2-methoxyphenoxy)acetate?
The IUPAC name of ethyl 2-bromo-2-(2-methoxyphenoxy)acetate (CID 22282008) is ethyl 2-bromo-2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-bromo-2-(2-methoxyphenoxy)acetate?
The canonical SMILES for ethyl 2-bromo-2-(2-methoxyphenoxy)acetate is CCOC(=O)C(Br)Oc1ccccc1OC.
What is the InChIKey of ethyl 2-bromo-2-(2-methoxyphenoxy)acetate?
The InChIKey is PVSMHAYXBUCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-3-15-11(13)10(12)16-9-7-5-4-6-8(9)14-2/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl 2-bromo-2-(2-methoxyphenoxy)acetate?
ethyl 2-bromo-2-(2-methoxyphenoxy)acetate has a molecular weight of 289.13 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 22282008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).