1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]-6-ol

• ChemBase ID: 182744
• Molecular Formular: C19H19NO2
• Molecular Mass: 293.35966
• Monoisotopic Mass: 293.14157885
• SMILES: C12(N(c3c(C1(C)C)cccc3)C)Oc1c(C=C2)cc(cc1)O
• Canonical SMILES: Oc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
• InChI: InChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3
• InChIKey: UHRBDHPBCHWWAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]-6-ol
• IUPAC Traditional name: 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol

Database IDs

• PubChem SID: 164238654
• PubChem CID: 90866

CALCULATED PROPERTIES

• Acid pKa: 9.7811165
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.1259418
• LogD (pH = 7.4): 5.124172
• Log P: 5.125964
• Molar Refractivity: 88.9174 cm^3
• Polarizability: 33.533695 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds