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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Related Compounds

(3aS,4S,6R,6aR)-6-(3-bromophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 167461862
(5R,6S)-6-(3-bromophenyl)-5-ethyl-3,3-dimethyloxane-2,4-dione
CID 703877
[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine
CID 82381661
1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
CID 97296884
(2S,3S)-2-(3-bromophenyl)-7-methyl-5-phenyl-1-oxa-5,6-diazaspiro[2.4]hept-6-en-4-one
CID 139050847
1-[3-(3-bromophenyl)-2-hydroxy-2-methylcyclopropyl]ethanone
CID 138653379
1,3-dibromobenzene;1,4-dibromobenzene
CID 70555684
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
CID 79913286
cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine
CID 90206358
9-(3-bromophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 1101266

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).