2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-naphthalen-1-one
Basic information
- CAS
25964-44-7- Standard SMILES
Cc1ccc(S(=O)(=O)CC2CCc3ccccc3C2=O)cc1- InChIKey
ZDYNPRWTOHZAFT-UHFFFAOYSA-N- Molecular formula
- C18H18O3S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.09766561
Names & identifiers
- Preferred name
- 2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 2-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
CHEMBL181450025964-44-7NSC2808762-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-naphthalen-1-oneDTXSID40314153BDBM50350689NSC-2808762-[(4-Methylbenzene-1-sulfonyl)methyl]-3,4-dihydronaphthalen-1(2H)-one
Database identifiers
- CAS
25964-44-7- PubChem CID
- 322753
- DTXSID
DTXSID40314153- ChEMBL
CHEMBL1814500
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
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Compound notes
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