2-[3-bromo-2-(2-bromophenyl)propyl]oxolane

C13H16Br2O — CID 79454797

IUPAC2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
SMILESBrCC(CC1CCCO1)c1ccccc1Br
InChIInChI=1S/C13H16Br2O/c14-9-10(8-11-4-3-7-16-11)12-5-1-2-6-13(12)15/h1-2,5-6,10-11H,3-4,7-9H2
InChIKeyPTZJKTIASPOVLE-UHFFFAOYSA-N
MW348.08 g/mol
LogP4.50
Rot. Bonds4

About 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane

2-[3-bromo-2-(2-bromophenyl)propyl]oxolane (PubChem CID 79454797) has the molecular formula C13H16Br2O and a molecular weight of 348.08 g/mol. Its IUPAC name is 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane.

Molecular Properties

Compound Name2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
PubChem CID79454797
Molecular FormulaC13H16Br2O
Molecular Weight348.08 g/mol
Exact Mass345.96
IUPAC Name2-[3-bromo-2-(2-bromophenyl)propyl]oxolane
SMILESBrCC(CC1CCCO1)c1ccccc1Br
InChIInChI=1S/C13H16Br2O/c14-9-10(8-11-4-3-7-16-11)12-5-1-2-6-13(12)15/h1-2,5-6,10-11H,3-4,7-9H2
InChIKeyPTZJKTIASPOVLE-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 54.50
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-[3-(2-bromophenyl)-4-chlorobutyl]oxolane
CID 79454250
2-[4-(2-bromophenyl)-5-chloropentyl]oxolane
CID 79454100
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66049471
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
2-[2-(3-bromophenyl)-3-chloropropyl]oxolane
CID 79431236
2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
CID 47056113
2-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]oxolane
CID 62107975
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
CID 65431740

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane?
The IUPAC name of 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane (CID 79454797) is 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane.
What is the SMILES notation for 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane?
The canonical SMILES for 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane is BrCC(CC1CCCO1)c1ccccc1Br.
What is the InChIKey of 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane?
The InChIKey is PTZJKTIASPOVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2O/c14-9-10(8-11-4-3-7-16-11)12-5-1-2-6-13(12)15/h1-2,5-6,10-11H,3-4,7-9H2.
What are the key properties of 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane?
2-[3-bromo-2-(2-bromophenyl)propyl]oxolane has a molecular weight of 348.08 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(2-bromophenyl)propyl]oxolane is sourced from PubChem (CID 79454797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).