Phenol, m-(1-(p-hydroxyphenethyl)-3-isopropyl-3-pyrrolidinyl)-, hydrochloride, hydrate

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Basic information

CAS: 64047-91-2
Standard SMILES: CC(C)C1(c2cccc(O)c2)CCN(CCc2ccc(O)cc2)C1.Cl.O
InChIKey: QYJKGOZKDXEICN-UHFFFAOYSA-N
Molecular formula: C21H30ClNO3
Average molar mass: 379.9 g/mol
Monoisotopic mass: 379.1914215

Names & identifiers

Preferred name: Phenol, m-(1-(p-hydroxyphenethyl)-3-isopropyl-3-pyrrolidinyl)-, hydrochloride, hydrate
IUPAC: 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propan-2-ylpyrrolidin-3-yl]phenol;hydrate;hydrochloride

Names & synonyms

64047-91-2Phenol, m-(1-(p-hydroxyphenethyl)-3-isopropyl-3-pyrrolidinyl)-, hydrochloride, hydratem-(1-(p-Hydroxyphenethyl)-3-isopropyl-3-pyrrolidinyl)phenol hydrochloride hydrateRefChem:3693603-[1-[2-(4-hydroxyphenyl)ethyl]-3-propan-2-ylpyrrolidin-3-yl]phenol;hydrate;hydrochlorideorb1985470DTXSID00982256AKOS040753498T339863-{1-[2-(4-Hydroxyphenyl)ethyl]-3-(propan-2-yl)pyrrolidin-3-yl}phenol--hydrogen chloride--water (1/1/1)

Database identifiers

CAS: 64047-91-2
PubChem CID: 115771
DTXSID: DTXSID00982256

Properties

Computed structural properties

Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 391

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Compound notes

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