(2R,3S)-2,3-bis(4-bromophenyl)oxirane

C14H10Br2O — CID 15981835

IUPAC(2R,3S)-2,3-bis(4-bromophenyl)oxirane
SMILESBrc1ccc([C@H]2O[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10Br2O/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14+
InChIKeyPBGRQGNNUSIVOZ-OKILXGFUSA-N
MW354.04 g/mol
LogP5.02
Rot. Bonds2

About (2R,3S)-2,3-bis(4-bromophenyl)oxirane

(2R,3S)-2,3-bis(4-bromophenyl)oxirane (PubChem CID 15981835) has the molecular formula C14H10Br2O and a molecular weight of 354.04 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(4-bromophenyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(4-bromophenyl)oxirane
PubChem CID15981835
Molecular FormulaC14H10Br2O
Molecular Weight354.04 g/mol
Exact Mass351.91
IUPAC Name(2R,3S)-2,3-bis(4-bromophenyl)oxirane
SMILESBrc1ccc([C@H]2O[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10Br2O/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14+
InChIKeyPBGRQGNNUSIVOZ-OKILXGFUSA-N
XLogP5.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.04
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(4-bromophenyl)oxirane?
The IUPAC name of (2R,3S)-2,3-bis(4-bromophenyl)oxirane (CID 15981835) is (2R,3S)-2,3-bis(4-bromophenyl)oxirane.
What is the SMILES notation for (2R,3S)-2,3-bis(4-bromophenyl)oxirane?
The canonical SMILES for (2R,3S)-2,3-bis(4-bromophenyl)oxirane is Brc1ccc([C@H]2O[C@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2R,3S)-2,3-bis(4-bromophenyl)oxirane?
The InChIKey is PBGRQGNNUSIVOZ-OKILXGFUSA-N. The full InChI is InChI=1S/C14H10Br2O/c15-11-5-1-9(2-6-11)13-14(17-13)10-3-7-12(16)8-4-10/h1-8,13-14H/t13-,14+.
What are the key properties of (2R,3S)-2,3-bis(4-bromophenyl)oxirane?
(2R,3S)-2,3-bis(4-bromophenyl)oxirane has a molecular weight of 354.04 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(4-bromophenyl)oxirane is sourced from PubChem (CID 15981835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).