2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane

C12H13BrO2 — CID 139753218

IUPAC2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane
SMILESC=Cc1ccc(COCC2CO2)c(Br)c1
InChIInChI=1S/C12H13BrO2/c1-2-9-3-4-10(12(13)5-9)6-14-7-11-8-15-11/h2-5,11H,1,6-8H2
InChIKeyJDZWMYJYCUZMMP-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.01
Rot. Bonds5

About 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane

2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane (PubChem CID 139753218) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane
PubChem CID139753218
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Name2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane
SMILESC=Cc1ccc(COCC2CO2)c(Br)c1
InChIInChI=1S/C12H13BrO2/c1-2-9-3-4-10(12(13)5-9)6-14-7-11-8-15-11/h2-5,11H,1,6-8H2
InChIKeyJDZWMYJYCUZMMP-UHFFFAOYSA-N
XLogP3.01
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
2-[[2-ethenyl-3,5-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 57293347
(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2-(prop-2-enoxymethyl)oxirane;styrene
CID 21400005
2-[3-(4-ethenylphenyl)propoxymethyl]oxirane
CID 141222806
2-[[2,3-bis(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane;ethene
CID 159741748
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
2-[(4-prop-2-enylphenyl)methoxymethyl]oxirane
CID 22561280
(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
CID 97180096
2,3-bis(oxiran-2-ylmethoxymethyl)furan
CID 176654552
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
CID 134445113

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane (CID 139753218) is 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane is C=Cc1ccc(COCC2CO2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane?
The InChIKey is JDZWMYJYCUZMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-2-9-3-4-10(12(13)5-9)6-14-7-11-8-15-11/h2-5,11H,1,6-8H2.
What are the key properties of 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane?
2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane has a molecular weight of 269.14 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-ethenylphenyl)methoxymethyl]oxirane is sourced from PubChem (CID 139753218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).