Chemical Properties of (S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol (CAS 485-19-8)

InChI

InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3

InChI Key

BHLYRWXGMIUIHG-UHFFFAOYSA-N

Formula

C19H23NO4

SMILES

COc1ccc(CC2c3cc(O)c(OC)cc3CCN2C)cc1O

Molecular Weight¹

329.39

CAS

485-19-8

Other Names

• Reticuline

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.887		Crippen Calculated Property
McVol	253.650	ml/mol	McGowan Calculated Property
Inp	[2841.90; 2841.90]
Inp	2841.90		NIST
Inp	2841.90		NIST

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Similar Compounds

Find more compounds similar to (S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methylisoquinolin-7-ol.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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