2-[(3,5-dibromophenoxy)methyl]oxirane

C9H8Br2O2 — CID 101286971

IUPAC2-[(3,5-dibromophenoxy)methyl]oxirane
SMILESBrc1cc(Br)cc(OCC2CO2)c1
InChIInChI=1S/C9H8Br2O2/c10-6-1-7(11)3-8(2-6)12-4-9-5-13-9/h1-3,9H,4-5H2
InChIKeyFMDJHKLQSODRCV-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.99
Rot. Bonds3

About 2-[(3,5-dibromophenoxy)methyl]oxirane

2-[(3,5-dibromophenoxy)methyl]oxirane (PubChem CID 101286971) has the molecular formula C9H8Br2O2 and a molecular weight of 307.97 g/mol. Its IUPAC name is 2-[(3,5-dibromophenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(3,5-dibromophenoxy)methyl]oxirane
PubChem CID101286971
Molecular FormulaC9H8Br2O2
Molecular Weight307.97 g/mol
Exact Mass305.89
IUPAC Name2-[(3,5-dibromophenoxy)methyl]oxirane
SMILESBrc1cc(Br)cc(OCC2CO2)c1
InChIInChI=1S/C9H8Br2O2/c10-6-1-7(11)3-8(2-6)12-4-9-5-13-9/h1-3,9H,4-5H2
InChIKeyFMDJHKLQSODRCV-UHFFFAOYSA-N
XLogP2.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.99
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-[(3,4-dibromo-5-methylphenoxy)methyl]oxirane
CID 101298514
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[(4-chloro-3,5-dimethylphenoxy)methyl]oxirane
CID 43175697
2-[(3-bromo-5-fluorophenoxy)methyl]oxolane
CID 81331452
2,6-dichloro-4-[[(2S)-oxiran-2-yl]methoxy]aniline
CID 58618737
2-[[2,3,5,6-tetrabromo-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 57190292
2-[[3,5-bis(oxiran-2-ylmethoxy)-2-[3,5,7-tris[2,4,6-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane
CID 87570733
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]oxirane
CID 87657990
2-[(2,3,4,5,6-pentabromophenoxy)methyl]oxirane
CID 71364739
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-[[4-(dibromomethyl)phenoxy]methyl]oxirane
CID 87292739
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromophenoxy)methyl]oxirane?
The IUPAC name of 2-[(3,5-dibromophenoxy)methyl]oxirane (CID 101286971) is 2-[(3,5-dibromophenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(3,5-dibromophenoxy)methyl]oxirane?
The canonical SMILES for 2-[(3,5-dibromophenoxy)methyl]oxirane is Brc1cc(Br)cc(OCC2CO2)c1.
What is the InChIKey of 2-[(3,5-dibromophenoxy)methyl]oxirane?
The InChIKey is FMDJHKLQSODRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2/c10-6-1-7(11)3-8(2-6)12-4-9-5-13-9/h1-3,9H,4-5H2.
What are the key properties of 2-[(3,5-dibromophenoxy)methyl]oxirane?
2-[(3,5-dibromophenoxy)methyl]oxirane has a molecular weight of 307.97 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromophenoxy)methyl]oxirane is sourced from PubChem (CID 101286971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).