(1R,12S)-1,3,6-trimethyl-14,15-dioxa-10-azatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene

• ChemBase ID: 187334
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c12n(c3c(c2C)cc(cc3)C)C[C@H]2O[C@]1(OC2)C
• Canonical SMILES: Cc1ccc2c(c1)c(C)c1n2C[C@H]2O[C@@]1(C)OC2
• InChI: InChI=1S/C15H17NO2/c1-9-4-5-13-12(6-9)10(2)14-15(3)17-8-11(18-15)7-16(13)14/h4-6,11H,7-8H2,1-3H3/t11-,15+/m0/s1
• InChIKey: OMHIUIUABDCYDJ-XHDPSFHLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,12S)-1,3,6-trimethyl-14,15-dioxa-10-azatetracyclo[10.2.1.0^2,^1^0.0^4,^9]pentadeca-2,4,6,8-tetraene
• IUPAC Traditional name: (1R,12S)-1,3,6-trimethyl-14,15-dioxa-10-azatetracyclo[10.2.1.0^2,^1^0.0^4,^9]pentadeca-2,4,6,8-tetraene

Database IDs

• PubChem SID: 164243244
• PubChem CID: 878359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3619869
• LogD (pH = 7.4): 3.3619869
• Log P: 3.3619869
• Molar Refractivity: 70.1033 cm^3
• Polarizability: 28.113197 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds