2-(2-bromo-1-phenylmethoxyethyl)oxirane

C11H13BrO2 — CID 562170

IUPAC2-(2-bromo-1-phenylmethoxyethyl)oxirane
SMILESBrCC(OCc1ccccc1)C1CO1
InChIInChI=1S/C11H13BrO2/c12-6-10(11-8-14-11)13-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyFGYRXVOQZGIRBX-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-bromo-1-phenylmethoxyethyl)oxirane

2-(2-bromo-1-phenylmethoxyethyl)oxirane (PubChem CID 562170) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-(2-bromo-1-phenylmethoxyethyl)oxirane.

Molecular Properties

Compound Name2-(2-bromo-1-phenylmethoxyethyl)oxirane
PubChem CID562170
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-(2-bromo-1-phenylmethoxyethyl)oxirane
SMILESBrCC(OCc1ccccc1)C1CO1
InChIInChI=1S/C11H13BrO2/c12-6-10(11-8-14-11)13-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyFGYRXVOQZGIRBX-UHFFFAOYSA-N
XLogP2.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
CID 101207998
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
CID 24900146
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]-2-phenylmethoxyethoxy]silane
CID 11162635
(2R)-2-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethanol
CID 25208781
2-(3-phenylmethoxybutyl)oxirane
CID 87093258
2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol
CID 142000904
[oxiran-2-yl(phenyl)methyl] hypobromite
CID 174319949
(2S)-2-[(E,1R)-1-(methoxymethoxy)-6-phenylmethoxyhex-4-enyl]oxirane
CID 11266323

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-phenylmethoxyethyl)oxirane?
The IUPAC name of 2-(2-bromo-1-phenylmethoxyethyl)oxirane (CID 562170) is 2-(2-bromo-1-phenylmethoxyethyl)oxirane.
What is the SMILES notation for 2-(2-bromo-1-phenylmethoxyethyl)oxirane?
The canonical SMILES for 2-(2-bromo-1-phenylmethoxyethyl)oxirane is BrCC(OCc1ccccc1)C1CO1.
What is the InChIKey of 2-(2-bromo-1-phenylmethoxyethyl)oxirane?
The InChIKey is FGYRXVOQZGIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-6-10(11-8-14-11)13-7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 2-(2-bromo-1-phenylmethoxyethyl)oxirane?
2-(2-bromo-1-phenylmethoxyethyl)oxirane has a molecular weight of 257.13 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-phenylmethoxyethyl)oxirane is sourced from PubChem (CID 562170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).