Chemical Properties of 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)- (CAS 19380-05-3)

InChI

InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3/t11-/m0/s1

InChI Key

UJSHBYQGQRPVNO-NSHDSACASA-N

Formula

C14H14O4

SMILES

CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O

Molecular Weight¹

246.26

CAS

19380-05-3

Other Names

• 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)-(+)-
• Jatamansinol
• Lomatin

• 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	-7.57		Crippen Calculated Property
logPoct/wat	1.867		Crippen Calculated Property
McVol	177.520	ml/mol	McGowan Calculated Property
Inp	[2365.00; 2365.00]
Inp	2365.00		NIST
Inp	2365.00		NIST
Inp	2365.00		NIST
Inp	2365.00		NIST

Similar Compounds

Find more compounds similar to 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 9,10-dihydro-9-hydroxy-8,8-dimethyl-, (R)-.

Sources

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

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