2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane

C15H19BrO — CID 61085309

IUPAC2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
SMILESBrC(c1ccc2c(c1)CCCC2)C1CCCO1
InChIInChI=1S/C15H19BrO/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h7-8,10,14-15H,1-6,9H2
InChIKeyZIZPZTPJJSYMHG-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.18
Rot. Bonds2

About 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane

2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane (PubChem CID 61085309) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane.

Molecular Properties

Compound Name2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
PubChem CID61085309
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
SMILESBrC(c1ccc2c(c1)CCCC2)C1CCCO1
InChIInChI=1S/C15H19BrO/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h7-8,10,14-15H,1-6,9H2
InChIKeyZIZPZTPJJSYMHG-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[bromo(oxan-2-yl)methyl]-1,3-dihydro-2-benzofuran
CID 63019928
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-5-methyloxolane
CID 81327783
6-[bromo(cyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439571
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410
2-[bromo-(3,4-dimethylphenyl)methyl]oxane
CID 62212675
5-[bromo(oxolan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096710
2-[2-bromo-2-(2,3-dihydro-1H-inden-5-yl)ethyl]oxolane
CID 65157674
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane
CID 61097079
3-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63440742
2-[bromo-(4-cyclohexylphenyl)methyl]oxane
CID 63440343
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane?
The IUPAC name of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane (CID 61085309) is 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane.
What is the SMILES notation for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane?
The canonical SMILES for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane is BrC(c1ccc2c(c1)CCCC2)C1CCCO1.
What is the InChIKey of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane?
The InChIKey is ZIZPZTPJJSYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h7-8,10,14-15H,1-6,9H2.
What are the key properties of 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane?
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane has a molecular weight of 295.22 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane is sourced from PubChem (CID 61085309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).