2-(4-bromophenyl)-3-phenyloxirane

C14H11BrO — CID 560688

IUPAC2-(4-bromophenyl)-3-phenyloxirane
SMILESBrc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C14H11BrO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyMORFNVKCKYTADR-UHFFFAOYSA-N
MW275.15 g/mol
LogP4.26
Rot. Bonds2

About 2-(4-bromophenyl)-3-phenyloxirane

2-(4-bromophenyl)-3-phenyloxirane (PubChem CID 560688) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-phenyloxirane
PubChem CID560688
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name2-(4-bromophenyl)-3-phenyloxirane
SMILESBrc1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C14H11BrO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyMORFNVKCKYTADR-UHFFFAOYSA-N
XLogP4.26
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 54.26
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

p-Bromobenzhydryl alcohol
CID 98221
2-(4-Bromophenyl)oxirane
CID 119460
cis-Stilbene oxide
CID 98511
trans-Stilbene oxide
CID 91504
(R,R)-Stilbene oxide
CID 185583
Stilbene oxide
CID 28649
2-(3-Bromophenyl)oxirane
CID 147193
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
2-(4-Bromophenyl)oxolane
CID 14653181
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-phenyloxirane?
The IUPAC name of 2-(4-bromophenyl)-3-phenyloxirane (CID 560688) is 2-(4-bromophenyl)-3-phenyloxirane.
What is the SMILES notation for 2-(4-bromophenyl)-3-phenyloxirane?
The canonical SMILES for 2-(4-bromophenyl)-3-phenyloxirane is Brc1ccc(C2OC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-phenyloxirane?
The InChIKey is MORFNVKCKYTADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c15-12-8-6-11(7-9-12)14-13(16-14)10-4-2-1-3-5-10/h1-9,13-14H.
What are the key properties of 2-(4-bromophenyl)-3-phenyloxirane?
2-(4-bromophenyl)-3-phenyloxirane has a molecular weight of 275.15 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-phenyloxirane is sourced from PubChem (CID 560688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).