5',8-dimethoxy-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]

• ChemBase ID: 191887
• Molecular Formular: C21H23NO3
• Molecular Mass: 337.41222
• Monoisotopic Mass: 337.1677936
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)OC)C)Oc1c(C=C2)cccc1OC
• Canonical SMILES: COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)c(OC)ccc2
• InChI: InChI=1S/C21H23NO3/c1-20(2)16-13-15(23-4)9-10-17(16)22(3)21(20)12-11-14-7-6-8-18(24-5)19(14)25-21/h6-13H,1-5H3
• InChIKey: QXIRZPKBUUZWQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5',8-dimethoxy-1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]
• IUPAC Traditional name: 5',8-dimethoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

Database IDs

• PubChem SID: 164247797
• PubChem CID: 3751708

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.114187
• LogD (pH = 7.4): 5.114187
• Log P: 5.114187
• Molar Refractivity: 99.8629 cm^3
• Polarizability: 37.957333 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds