2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane

C16H23BrO — CID 103142686

IUPAC2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
SMILESCc1ccccc1CC(CBr)CC1CCC(C)O1
InChIInChI=1S/C16H23BrO/c1-12-5-3-4-6-15(12)9-14(11-17)10-16-8-7-13(2)18-16/h3-6,13-14,16H,7-11H2,1-2H3
InChIKeyBAMJKWGKCHHMJS-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.51
Rot. Bonds5

About 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane

2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane (PubChem CID 103142686) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
PubChem CID103142686
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
SMILESCc1ccccc1CC(CBr)CC1CCC(C)O1
InChIInChI=1S/C16H23BrO/c1-12-5-3-4-6-15(12)9-14(11-17)10-16-8-7-13(2)18-16/h3-6,13-14,16H,7-11H2,1-2H3
InChIKeyBAMJKWGKCHHMJS-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.51
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-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142494
2-[2-(bromomethyl)butyl]-5-methyloxolane
CID 103142666
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-methyloxolane
CID 103142724
1-[2-(bromomethyl)-5-methylhexyl]-2-methylbenzene
CID 66040938
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1,4-dimethylbenzene
CID 66040940
1-[2-(bromomethyl)-3-(4-iodophenyl)propyl]-2-methylbenzene
CID 66041139
1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
CID 66041741
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
1-(3-bromo-2-fluoropropyl)-2-methylbenzene
CID 122239723
1-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
1-[2-(bromomethyl)-4-phenoxybutyl]-2-methylbenzene
CID 66043142
2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane?
The IUPAC name of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane (CID 103142686) is 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane.
What is the SMILES notation for 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane?
The canonical SMILES for 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane is Cc1ccccc1CC(CBr)CC1CCC(C)O1.
What is the InChIKey of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane?
The InChIKey is BAMJKWGKCHHMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-12-5-3-4-6-15(12)9-14(11-17)10-16-8-7-13(2)18-16/h3-6,13-14,16H,7-11H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane?
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane has a molecular weight of 311.26 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane is sourced from PubChem (CID 103142686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).