2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane

C15H21BrO2 — CID 65157874

IUPAC2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
SMILESCC(C)Oc1ccc(C(Br)CC2CCCO2)cc1
InChIInChI=1S/C15H21BrO2/c1-11(2)18-13-7-5-12(6-8-13)15(16)10-14-4-3-9-17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyKKSYOBXVTUHBFF-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.48
Rot. Bonds5

About 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane

2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane (PubChem CID 65157874) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
PubChem CID65157874
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
SMILESCC(C)Oc1ccc(C(Br)CC2CCCO2)cc1
InChIInChI=1S/C15H21BrO2/c1-11(2)18-13-7-5-12(6-8-13)15(16)10-14-4-3-9-17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyKKSYOBXVTUHBFF-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
[2-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105267564
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
CID 65158211
2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane
CID 65157674
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]oxolane
CID 65158018
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673
2-[2-bromo-2-(2-fluoro-4-methoxyphenyl)ethyl]oxolane
CID 65158223
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
The IUPAC name of 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane (CID 65157874) is 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
The canonical SMILES for 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane is CC(C)Oc1ccc(C(Br)CC2CCCO2)cc1.
What is the InChIKey of 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
The InChIKey is KKSYOBXVTUHBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-11(2)18-13-7-5-12(6-8-13)15(16)10-14-4-3-9-17-14/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane?
2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane has a molecular weight of 313.24 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane is sourced from PubChem (CID 65157874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).