2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane

C15H19BrO — CID 65157674

IUPAC2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane
SMILESBrC(CC1CCCO1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19BrO/c16-15(10-14-5-2-8-17-14)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14-15H,1-5,8,10H2
InChIKeyNBFJDGVBBMIOMM-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.18
Rot. Bonds3

About 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane

2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane (PubChem CID 65157674) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane
PubChem CID65157674
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane
SMILESBrC(CC1CCCO1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19BrO/c16-15(10-14-5-2-8-17-14)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14-15H,1-5,8,10H2
InChIKeyNBFJDGVBBMIOMM-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.18
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

6-(1-bromo-2-cycloheptylethyl)-1,2,3,4-tetrahydronaphthalene
CID 114458692
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 61085309
2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65157874
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
CID 65157773
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
CID 63440354
5-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
CID 65157835
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
5-(1-bromo-3-methylpentyl)-2,3-dihydro-1H-indene
CID 114876125
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
CID 115846820
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198767
6-[1-bromo-3-(oxolan-2-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 65158312

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane?
The IUPAC name of 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane (CID 65157674) is 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane.
What is the SMILES notation for 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane?
The canonical SMILES for 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane is BrC(CC1CCCO1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane?
The InChIKey is NBFJDGVBBMIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c16-15(10-14-5-2-8-17-14)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14-15H,1-5,8,10H2.
What are the key properties of 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane?
2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane has a molecular weight of 295.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane is sourced from PubChem (CID 65157674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).