Basic information
- Standard SMILES
O=C1CCCc2cc(OCCCCl)ccc21- InChIKey
OVVPTWVNHMVQJE-UHFFFAOYSA-N- Molecular formula
- C13H15ClO2
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0760574
Names & identifiers
- Preferred name
- 6-(3-Chloro-propoxy)-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 6-(3-chloropropoxy)-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
SCHEMBL1377016OVVPTWVNHMVQJE-UHFFFAOYSA-NAKOS011105497DB-1968006-(3-Chloro-propoxy)-3,4-dihydro-2H-naphthalen-1-one6-(3-Chloropropoxy)-3,4-dihydro-1(2h)-naphthalenone1005403-13-3
Database identifiers
- PubChem CID
- 22023232
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
5 records
Compound notes
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