2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane

C14H19BrO — CID 65157773

IUPAC2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
SMILESCc1ccc(C)c(C(Br)CC2CCCO2)c1
InChIInChI=1S/C14H19BrO/c1-10-5-6-11(2)13(8-10)14(15)9-12-4-3-7-16-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyQOGGXGKFKZYQJM-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.31
Rot. Bonds3

About 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane

2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane (PubChem CID 65157773) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
PubChem CID65157773
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
SMILESCc1ccc(C)c(C(Br)CC2CCCO2)c1
InChIInChI=1S/C14H19BrO/c1-10-5-6-11(2)13(8-10)14(15)9-12-4-3-7-16-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3
InChIKeyQOGGXGKFKZYQJM-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.31
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

2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]oxolane
CID 65158018
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]oxolane
CID 65158223
7-[1-bromo-2-(oxolan-2-yl)ethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 65158318
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55198191
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
2-[bromo-(2,4-dimethylphenyl)methyl]oxolane
CID 61097286
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane?
The IUPAC name of 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane (CID 65157773) is 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane?
The canonical SMILES for 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane is Cc1ccc(C)c(C(Br)CC2CCCO2)c1.
What is the InChIKey of 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane?
The InChIKey is QOGGXGKFKZYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10-5-6-11(2)13(8-10)14(15)9-12-4-3-7-16-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane?
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane has a molecular weight of 283.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane is sourced from PubChem (CID 65157773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).