2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane

C14H19BrO2 — CID 65158211

IUPAC2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
SMILESCOc1ccc(C(Br)CCC2CCCO2)cc1
InChIInChI=1S/C14H19BrO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyBJMJDWKGILYFNZ-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.09
Rot. Bonds5

About 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane

2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane (PubChem CID 65158211) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
PubChem CID65158211
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
SMILESCOc1ccc(C(Br)CCC2CCCO2)cc1
InChIInChI=1S/C14H19BrO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyBJMJDWKGILYFNZ-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.09
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-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxolane
CID 65158117
2-[3-bromo-3-(4-chlorophenyl)propyl]oxolane
CID 65158160
2-[3-bromo-3-(4-butan-2-ylphenyl)propyl]oxolane
CID 65158164
2-[3-chloro-3-(6-methoxynaphthalen-2-yl)propyl]oxolane
CID 65157833
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxane
CID 63952188
2-[3-bromo-3-(4-butan-2-ylphenyl)propyl]oxane
CID 63951386
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61040330
2-[3-(3-bromo-4-methoxyphenyl)-3-chloropropyl]oxolane
CID 65158142
2-[3-bromo-3-(4-methoxynaphthalen-1-yl)propyl]oxolane
CID 65157917

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane?
The IUPAC name of 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane (CID 65158211) is 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane.
What is the SMILES notation for 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane?
The canonical SMILES for 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane is COc1ccc(C(Br)CCC2CCCO2)cc1.
What is the InChIKey of 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane?
The InChIKey is BJMJDWKGILYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane?
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane has a molecular weight of 299.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane is sourced from PubChem (CID 65158211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).