(2S)-2-(2-bromophenyl)oxirane

C8H7BrO — CID 30071402

IUPAC(2S)-2-(2-bromophenyl)oxirane
SMILESBrc1ccccc1[C@H]1CO1
InChIInChI=1S/C8H7BrO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChIKeyZHYZZBGVWDYSEW-MRVPVSSYSA-N
MW199.05 g/mol
LogP2.52
Rot. Bonds1

About (2S)-2-(2-bromophenyl)oxirane

(2S)-2-(2-bromophenyl)oxirane (PubChem CID 30071402) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)oxirane
PubChem CID30071402
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name(2S)-2-(2-bromophenyl)oxirane
SMILESBrc1ccccc1[C@H]1CO1
InChIInChI=1S/C8H7BrO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChIKeyZHYZZBGVWDYSEW-MRVPVSSYSA-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'}

Analyze (2S)-2-(2-bromophenyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)oxirane?
The IUPAC name of (2S)-2-(2-bromophenyl)oxirane (CID 30071402) is (2S)-2-(2-bromophenyl)oxirane.
What is the SMILES notation for (2S)-2-(2-bromophenyl)oxirane?
The canonical SMILES for (2S)-2-(2-bromophenyl)oxirane is Brc1ccccc1[C@H]1CO1.
What is the InChIKey of (2S)-2-(2-bromophenyl)oxirane?
The InChIKey is ZHYZZBGVWDYSEW-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H7BrO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)oxirane?
(2S)-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 (2S)-2-(2-bromophenyl)oxirane is sourced from PubChem (CID 30071402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).