2-Propanol, 1-(o-(4-chlorophenoxy)phenoxy)-3-pyrrolidinyl-, hydrochloride

HCID 213397

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Basic information

CAS: 26321-26-6
Standard SMILES: Cl.OC(COc1ccccc1Oc1ccc(Cl)cc1)CN1CCCC1
InChIKey: WEZJDCDNSGNMFW-UHFFFAOYSA-N
Molecular formula: C19H23Cl2NO3
Average molar mass: 384.3 g/mol
Monoisotopic mass: 383.105499

Names & identifiers

Preferred name: 2-Propanol, 1-(o-(4-chlorophenoxy)phenoxy)-3-pyrrolidinyl-, hydrochloride
IUPAC: 1-[2-(4-chlorophenoxy)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

Names & synonyms

26321-26-62-Propanol, 1-(o-(4-chlorophenoxy)phenoxy)-3-pyrrolidinyl-, hydrochlorideEther, p-chlorophenyl o-(3-pyrrolidinyl-2-hydroxypropoxy)phenyl, hydrochlorideRefChem:265878DTXSID809491851-[2-(4-Chlorophenoxy)phenoxy]-3-(pyrrolidin-1-yl)propan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 26321-26-6
PubChem CID: 213397
DTXSID: DTXSID80949185

Properties

Computed structural properties

Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 357

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