3-(3-bromophenyl)-2,2-dimethyloxirane

C10H11BrO — CID 87295088

IUPAC3-(3-bromophenyl)-2,2-dimethyloxirane
SMILESCC1(C)OC1c1cccc(Br)c1
InChIInChI=1S/C10H11BrO/c1-10(2)9(12-10)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3
InChIKeyUQOWSXVSJBDRNC-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.30
Rot. Bonds1

About 3-(3-bromophenyl)-2,2-dimethyloxirane

3-(3-bromophenyl)-2,2-dimethyloxirane (PubChem CID 87295088) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(3-bromophenyl)-2,2-dimethyloxirane
PubChem CID87295088
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name3-(3-bromophenyl)-2,2-dimethyloxirane
SMILESCC1(C)OC1c1cccc(Br)c1
InChIInChI=1S/C10H11BrO/c1-10(2)9(12-10)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3
InChIKeyUQOWSXVSJBDRNC-UHFFFAOYSA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.30
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 3-(3-bromophenyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(3-bromophenyl)-2,2-dimethyloxirane (CID 87295088) is 3-(3-bromophenyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(3-bromophenyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(3-bromophenyl)-2,2-dimethyloxirane is CC1(C)OC1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-2,2-dimethyloxirane?
The InChIKey is UQOWSXVSJBDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-10(2)9(12-10)7-4-3-5-8(11)6-7/h3-6,9H,1-2H3.
What are the key properties of 3-(3-bromophenyl)-2,2-dimethyloxirane?
3-(3-bromophenyl)-2,2-dimethyloxirane has a molecular weight of 227.10 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2,2-dimethyloxirane is sourced from PubChem (CID 87295088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).