(2RS,3RS)-5,5-diethoxy-3-(3,4-methylenedioxyphenyl)pentan-2-ol (HCID 18705240)

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Basic information

Standard SMILES: CCOC(CC(c1ccc2c(c1)OCO2)C(C)O)OCC
InChIKey: ADMMOVIOBGSMPK-UHFFFAOYSA-N
Molecular formula: C16H24O5
Average molar mass: 296.36 g/mol
Monoisotopic mass: 296.16237386

Names & identifiers

Preferred name: (2RS,3RS)-5,5-diethoxy-3-(3,4-methylenedioxyphenyl)pentan-2-ol
IUPAC: 3-(1,3-benzodioxol-5-yl)-5,5-diethoxypentan-2-ol

Names & synonyms

SCHEMBL6251302ADMMOVIOBGSMPK-UHFFFAOYSA-N(2RS,3RS)-5,5-diethoxy-3-(3,4-methylenedioxyphenyl)pentan-2-ol(2RS,3SR)-5,5-diethoxy-3-(3,4-methylenedioxyphenyl)pentan-2-ol

Database identifiers

PubChem CID: 18705240

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 292

Related reactions

3 records

New reaction record

HRID 263686As reactantuspto-grants-1997_07

HRID 2287501As productuspto-grants-2000_07

HRID 2287502As reactantuspto-grants-2000_07

Compound notes

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