3-(1-bromo-2-phenylethyl)oxolane

C12H15BrO — CID 63018732

IUPAC3-(1-bromo-2-phenylethyl)oxolane
SMILESBrC(Cc1ccccc1)C1CCOC1
InChIInChI=1S/C12H15BrO/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyZFOUIEMTOXNGFD-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.03
Rot. Bonds3

About 3-(1-bromo-2-phenylethyl)oxolane

3-(1-bromo-2-phenylethyl)oxolane (PubChem CID 63018732) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 3-(1-bromo-2-phenylethyl)oxolane.

Molecular Properties

Compound Name3-(1-bromo-2-phenylethyl)oxolane
PubChem CID63018732
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name3-(1-bromo-2-phenylethyl)oxolane
SMILESBrC(Cc1ccccc1)C1CCOC1
InChIInChI=1S/C12H15BrO/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyZFOUIEMTOXNGFD-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[1-bromo-2-(3,4-dichlorophenyl)ethyl]oxolane
CID 63045119
3-[1-bromo-2-(4-methylphenyl)ethyl]oxane
CID 63015823
3-[1-bromo-2-(4-chlorophenyl)ethyl]oxane
CID 63015468
1-(oxan-4-yl)-3-phenylpropan-2-amine
CID 62606455
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
N-(1,3-diphenylpropan-2-yl)oxolan-3-amine
CID 80719225
(1R)-1-(oxetan-3-yl)-2-phenylethanamine
CID 162341038
3-[2-(3-bromophenyl)-1-chloroethyl]oxolane
CID 63016850
2-(benzylamino)-2-(oxolan-3-yl)acetic acid
CID 54889756
3-(1-phenylethyl)oxolane
CID 150323599
[1-(oxan-4-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195157
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-2-phenylethyl)oxolane?
The IUPAC name of 3-(1-bromo-2-phenylethyl)oxolane (CID 63018732) is 3-(1-bromo-2-phenylethyl)oxolane.
What is the SMILES notation for 3-(1-bromo-2-phenylethyl)oxolane?
The canonical SMILES for 3-(1-bromo-2-phenylethyl)oxolane is BrC(Cc1ccccc1)C1CCOC1.
What is the InChIKey of 3-(1-bromo-2-phenylethyl)oxolane?
The InChIKey is ZFOUIEMTOXNGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 3-(1-bromo-2-phenylethyl)oxolane?
3-(1-bromo-2-phenylethyl)oxolane has a molecular weight of 255.15 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-2-phenylethyl)oxolane is sourced from PubChem (CID 63018732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).