4-(4-(Trifluoromethoxy)phenoxy)phenol

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Basic information

CAS: 74030-45-8
Standard SMILES: Oc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIKey: NQUHDPCTPNHETO-UHFFFAOYSA-N
Molecular formula: C13H9F3O3
Average molar mass: 270.2 g/mol
Monoisotopic mass: 270.05037863

Names & identifiers

Preferred name: 4-(4-(Trifluoromethoxy)phenoxy)phenol
IUPAC: 4-[4-(trifluoromethoxy)phenoxy]phenol

Names & synonyms

4-[4-(Trifluoromethoxy)phenoxy]phenol74030-45-84-(4-(Trifluoromethoxy)phenoxy)phenolRefChem:287817Phenol, 4-[4-(trifluoromethoxy)phenoxy]-SCHEMBL4307301DTXSID801286500MFCD348304374-(4-Trifluoromethoxy-phenoxy)-phenolSY357785H41074

Database identifiers

CAS: 74030-45-8
PubChem CID: 21200829
DTXSID: DTXSID801286500
Nikkaji: J2.238.046J

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 267

Related reactions

1 records

New reaction record

HRID 2103321As reactantuspto-grants-2009_08

Compound notes

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