Chemical Properties of 6,7-Dimethoxy-2-(4-methoxyphenethyl)-4H-chromen-4-one (CAS 117596-92-6)

InChI

InChI=1S/C20H20O5/c1-22-14-7-4-13(5-8-14)6-9-15-10-17(21)16-11-19(23-2)20(24-3)12-18(16)25-15/h4-5,7-8,10-12H,6,9H2,1-3H3

InChI Key

WYSWREVQEJRZIQ-UHFFFAOYSA-N

Formula

C20H20O5

SMILES

COc1ccc(CCc2cc(=O)c3cc(OC)c(OC)cc3o2)cc1

Molecular Weight¹

340.37

CAS

117596-92-6

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-9.21		Crippen Calculated Property
logPoct/wat	3.604		Crippen Calculated Property
McVol	255.030	ml/mol	McGowan Calculated Property
Inp	[3145.30; 3145.30]
Inp	3145.30		NIST
Inp	3145.30		NIST

Similar Compounds

Find more compounds similar to 6,7-Dimethoxy-2-(4-methoxyphenethyl)-4H-chromen-4-one.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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