6-methoxy-1,2,4,9-tetrahydrospiro[carbazole-3,2'-[1,3]dioxolane]

• ChemBase ID: 249154
• Molecular Formular: C15H17NO3
• Molecular Mass: 259.30038
• Monoisotopic Mass: 259.12084341
• SMILES: c12c([nH]c3c1cc(cc3)OC)CCC1(C2)OCCO1
• Canonical SMILES: COc1ccc2c(c1)c1CC3(CCc1[nH]2)OCCO3
• InChI: InChI=1S/C15H17NO3/c1-17-10-2-3-13-11(8-10)12-9-15(18-6-7-19-15)5-4-14(12)16-13/h2-3,8,16H,4-7,9H2,1H3
• InChIKey: OYOMKTWEBJVRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,4,9-tetrahydrospiro[carbazole-3,2'-[1,3]dioxolane]
• IUPAC Traditional name: 6-methoxy-1,2,4,9-tetrahydrospiro[carbazole-3,2'-[1,3]dioxolane]
• Synonyms: 6-methoxy-1,2,4,9-tetrahydrospiro[carbazole-3,2'-[1,3]dioxolane]

Database IDs

• MDL Number: MFCD07778398
• PubChem SID: 164305064
• PubChem CID: 11694563

CALCULATED PROPERTIES

• Acid pKa: 16.87837
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.211607
• LogD (pH = 7.4): 2.211607
• Log P: 2.211607
• Molar Refractivity: 72.0124 cm^3
• Polarizability: 28.859255 Å^3
• Polar Surface Area: 43.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.264

Product Information

• Purity: 95%