Phenol, m-(1-(p-hydroxyphenethyl)-3-neopentyl-3-pyrrolidinyl)-, hydrochloride
Basic information
- CAS
38906-55-7- Standard SMILES
CC(C)(C)CC1(c2cccc(O)c2)CCN(CCc2ccc(O)cc2)C1.Cl- InChIKey
MHDNXJUAYGCFJY-UHFFFAOYSA-N- Molecular formula
- C23H32ClNO2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.212157
Names & identifiers
- Preferred name
- Phenol, m-(1-(p-hydroxyphenethyl)-3-neopentyl-3-pyrrolidinyl)-, hydrochloride
- IUPAC
- 3-[3-(2,2-dimethylpropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol;hydrochloride
Names & synonyms
38906-55-7Phenol, m-(1-(p-hydroxyphenethyl)-3-neopentyl-3-pyrrolidinyl)-, hydrochloridePyrrolidine, 1-(p-hydroxyphenethyl)-3-(m-hydroxyphenyl)-3-neopentyl-, hydrochlorideRefChem:3693613-(1-(4-Hydroxyphenethyl)-3-neopentylpyrrolidin-3-yl)phenol hydrochlorideDTXSID909596743-{3-(2,2-Dimethylpropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl}phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
38906-55-7- PubChem CID
- 217415
- DTXSID
DTXSID90959674
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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