CAS 14200-84-1 Phenol, 3-(3-phenoxyphenoxy)- (HCID 84251)

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Basic information

CAS: 14200-84-1
Standard SMILES: Oc1cccc(Oc2cccc(Oc3ccccc3)c2)c1
InChIKey: VTEWWGHLESEIEO-UHFFFAOYSA-N
Molecular formula: C18H14O3
Average molar mass: 278.3 g/mol
Monoisotopic mass: 278.09429431

Names & identifiers

Preferred name: Phenol, 3-(3-phenoxyphenoxy)-
IUPAC: 3-(3-phenoxyphenoxy)phenol
English name: 3-(3-Phenoxyphenoxy)phenol
Molecular formula: C18H14O3
Molecular weight: 278.3

Names & synonyms

Phenol, 3-(3-phenoxyphenoxy)-14200-84-1Phenol, m-(m-phenoxyphenoxy)-NSC 87876DTXSID5065726RefChem:860892DTXCID80346193-(3-phenoxyphenoxy)phenolm-(m-Phenoxyphenoxy)phenolNSC87876Oprea1_560233SCHEMBL1174126

Show more names

SCHEMBL1174127NSC-87876AKOS001586368SR-01000390190SR-01000390190-1

Database identifiers

CAS: 14200-84-1
PubChem CID: 84251
DTXSID: DTXSID5065726
Nikkaji: J421.912K

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 301

Physicochemical properties

Boiling point: 222 · 222-230 °C(Press: 1.0 Torr)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
pka: 9.38 · 9.38±0.10(Predicted)
EPA Substance Registry System: 3 · Phenol, 3-(3-phenoxyphenoxy)- (14200-84-1)
TSCA: TSCA listed