2-(2-bromophenyl)oxirane

C8H7BrO — CID 11030814

IUPAC2-(2-bromophenyl)oxirane
SMILESBrc1ccccc1C1CO1
InChIInChI=1S/C8H7BrO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2
InChIKeyZHYZZBGVWDYSEW-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.52
Rot. Bonds1

About 2-(2-bromophenyl)oxirane

2-(2-bromophenyl)oxirane (PubChem CID 11030814) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 2-(2-bromophenyl)oxirane.

Molecular Properties

Compound Name2-(2-bromophenyl)oxirane
PubChem CID11030814
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name2-(2-bromophenyl)oxirane
SMILESBrc1ccccc1C1CO1
InChIInChI=1S/C8H7BrO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2
InChIKeyZHYZZBGVWDYSEW-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
(+)-Styrene oxide
CID 114705
2-(4-Bromophenyl)oxirane
CID 119460
1-(2-Bromophenyl)ethanol
CID 95455
2-(3-Bromophenyl)oxirane
CID 147193
(R)-1-(2-bromophenyl)ethanol
CID 2734868
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-Bromo-2-(dimethoxymethyl)benzene
CID 11148943
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)oxirane?
The IUPAC name of 2-(2-bromophenyl)oxirane (CID 11030814) is 2-(2-bromophenyl)oxirane.
What is the SMILES notation for 2-(2-bromophenyl)oxirane?
The canonical SMILES for 2-(2-bromophenyl)oxirane is Brc1ccccc1C1CO1.
What is the InChIKey of 2-(2-bromophenyl)oxirane?
The InChIKey is ZHYZZBGVWDYSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2.
What are the key properties of 2-(2-bromophenyl)oxirane?
2-(2-bromophenyl)oxirane has a molecular weight of 199.05 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)oxirane is sourced from PubChem (CID 11030814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).