3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane

C16H21BrO2 — CID 104510672

IUPAC3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane
SMILESBrCC1(CCOc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C16H21BrO2/c17-12-16(9-11-19-15(16)13-6-7-13)8-10-18-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2
InChIKeyNHIFOXOOQLXKJV-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.04
Rot. Bonds6

About 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane

3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane (PubChem CID 104510672) has the molecular formula C16H21BrO2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane
PubChem CID104510672
Molecular FormulaC16H21BrO2
Molecular Weight325.25 g/mol
Exact Mass324.07
IUPAC Name3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane
SMILESBrCC1(CCOc2ccccc2)CCOC1C1CC1
InChIInChI=1S/C16H21BrO2/c17-12-16(9-11-19-15(16)13-6-7-13)8-10-18-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2
InChIKeyNHIFOXOOQLXKJV-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.04
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

3-(bromomethyl)-2-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]oxolane
CID 104510710
3-(bromomethyl)-3-(cyclopentylmethyl)-2-cyclopropyloxolane
CID 104510698
3-(bromomethyl)-2-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]oxolane
CID 107310849
3-(bromomethyl)-2-cyclopropyl-3-[(3-methylphenyl)methyl]oxolane
CID 104510696
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
CID 114533972
2-cyclopropyl-3-(2-phenylsulfanylethyl)oxolan-3-amine
CID 104510293
4-[[3-(bromomethyl)-2-cyclopropyloxolan-3-yl]methyl]-1-methyltriazole
CID 107058291
[3-[(3-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 113420831
6-(2-phenoxyethyl)bicyclo[3.1.0]hexan-6-ol
CID 79331034
7-(2-phenoxyethyl)bicyclo[4.1.0]heptan-7-ol
CID 79330747
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane?
The IUPAC name of 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane (CID 104510672) is 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane is BrCC1(CCOc2ccccc2)CCOC1C1CC1.
What is the InChIKey of 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane?
The InChIKey is NHIFOXOOQLXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO2/c17-12-16(9-11-19-15(16)13-6-7-13)8-10-18-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2.
What are the key properties of 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane?
3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane has a molecular weight of 325.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-cyclopropyl-3-(2-phenoxyethyl)oxolane is sourced from PubChem (CID 104510672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).