Mls002638523
Basic information
- CAS
5446-71-9- Standard SMILES
COc1ccc2cc(C3=CC(=O)CCC3)ccc2c1- InChIKey
UCPAGVLGPBDXKG-UHFFFAOYSA-N- Molecular formula
- C17H16O2
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.11502975
Names & identifiers
- Preferred name
- Mls002638523
- IUPAC
- 3-(6-methoxynaphthalen-2-yl)cyclohex-2-en-1-one
Names & synonyms
5446-71-9MLS002638523DTXSID20280483RefChem:357155DTXCID202316373-(6-methoxynaphthalen-2-yl)cyclohex-2-en-1-one3-(6-Methoxynaphthalen-2-yl)cyclohex-2-enoneHMS3095G18NSC17121CHEMBL1711020NSC-17121SMR001547997
Show more names
DS-004595
Database identifiers
- CAS
5446-71-9- PubChem CID
- 226548
- DTXSID
DTXSID20280483- ChEMBL
CHEMBL1711020
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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