Chemical Properties of Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)- (CAS 125-28-0)

InChI

InChI=1S/C18H23NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3

InChI Key

RBOXVHNMENFORY-UHFFFAOYSA-N

Formula

C18H23NO3

SMILES

COc1ccc2c3c1OC1C(O)CCC4C(C2)N(C)CCC341

Molecular Weight¹

301.38

CAS

125-28-0

Other Names

• (-)-Dihydrocodeine
• 3-Methoxy-12-methyl-5,6,7,7a,8,9-hexahydro-4aH-8,9c-iminoethanophenanthro(4,5-bcd)furan-5-ol
• 4,5«alpha»-Epoxy-3-methoxy-17-methylmorphinan-6«alpha»-ol
• 6-Hydroxy-3-methoxy-N-methyl-4,5-epoxymorphinan
• 6«alpha»-Hydrocodol
• 7,8-Dihydrocodeine
• 8,14-Dihydroneopine
• Codeine, 7,8-dihydro-
• Codeine, dihydro-
• Codhydrine
• Cohydrin
• DF 118
• DH-codeine
• Dehacodin
• Didrate
• Dihydrin
• Dihydrocodeine
• Dihydrocodeine Bitartrate
• Dihydrokodein
• Dihydroneopine
• Drocode
• Hydrocodeine
• Hydrocodin
• Morphinan-6«alpha»-ol, 4,5«alpha»-epoxy-3-methoxy-17-methyl-
• NSC 231319
• Nadeine
• Novcodin
• Novicodin
• Novicondin
• Paracodin
• Paracodine
• Parzone
• Rapacodin
• Rapocodin
• «alpha»-Hydrocodol

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-1.00		Aq. Solubility Prediction
logPoct/wat	1.725		Crippen Calculated Property
McVol	224.870	ml/mol	McGowan Calculated Property
Inp	[2323.00; 2474.90]
Inp	2365.00		NIST
Inp	2376.00		NIST
Inp	2376.00		NIST
Inp	2350.00		NIST
Inp	Outlier 2474.90		NIST
Inp	2357.00		NIST
Inp	2357.00		NIST
Inp	2323.00		NIST
Inp	2365.00		NIST
Inp	2363.00		NIST
Inp	2335.00		NIST
Inp	2375.00		NIST
Inp	2365.00		NIST
Inp	2363.00		NIST
Inp	Outlier 2474.90		NIST
Tfus	385.65	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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