4-Propoxymethyl-2-bromomethylnaphthalene

HCID 21458703

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 173336-77-1
Standard SMILES: CCCOCc1cc(CBr)cc2ccccc12
InChIKey: OSBOFIVHAHVNBK-UHFFFAOYSA-N
Molecular formula: C15H17BrO
Average molar mass: 293.2 g/mol
Monoisotopic mass: 292.04627726

Names & identifiers

Preferred name: 4-Propoxymethyl-2-bromomethylnaphthalene
IUPAC: 3-(bromomethyl)-1-(propoxymethyl)naphthalene

Names & synonyms

4-propoxymethyl-2-bromomethylnaphthalene3-(bromomethyl)-1-(propoxymethyl)naphthalene173336-77-1SCHEMBL6045402OSBOFIVHAHVNBK-UHFFFAOYSA-NDTXSID2012584744-propoxymethyl-2-bromomethyl-naphthalene

Database identifiers

CAS: 173336-77-1
PubChem CID: 21458703
DTXSID: DTXSID201258474

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 219

Related reactions

6 records

New reaction record

HRID 264889As reactantuspto-grants-1997_07

HRID 725587As reactantuspto-grants-1998_01

HRID 744778As reactantuspto-grants-1996_09

HRID 1142357As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1779780As reactantuspto-grants-1997_05

HRID 2256691As reactantuspto-grants-1997_08

Compound notes

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