methyl (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate

HCID 13630686

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Basic information

CAS: 103055-25-0
Standard SMILES: COC(=O)[C@@H](C)Oc1ccc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2c1
InChIKey: DKLGUDCGTHUULS-GFCCVEGCSA-N
Molecular formula: C21H16ClF3O4
Average molar mass: 424.8 g/mol
Monoisotopic mass: 424.0689212

Names & identifiers

Preferred name: methyl (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate
IUPAC: methyl (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate

Names & synonyms

SCHEMBL147772SCHEMBL29382403DKLGUDCGTHUULS-GFCCVEGCSA-NDTXSID501337441methyl (2R)-2-[7-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoate103055-25-0Methyl (2R)-2-[[7-[2-chloro-4-(trifluoromethyl)phenoxy]-2-naphthalenyl]oxy]propanoate

Database identifiers

CAS: 103055-25-0
PubChem CID: 13630686
DTXSID: DTXSID501337441

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 559

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