2,7,9-trimethyl-9,10-dihydroanthracene

• ChemBase ID: 111480
• Molecular Formular: C17H18
• Molecular Mass: 222.32482
• Monoisotopic Mass: 222.14085058
• SMILES: CC1c2cc(C)ccc2Cc2c1cc(C)cc2
• Canonical SMILES: CC1c2cc(C)ccc2Cc2c1cc(C)cc2
• InChI: InChI=1S/C17H18/c1-11-4-6-14-10-15-7-5-12(2)9-17(15)13(3)16(14)8-11/h4-9,13H,10H2,1-3H3
• InChIKey: MIQLEVVGCUJBEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7,9-trimethyl-9,10-dihydroanthracene
• IUPAC Traditional name: 2,7,9-trimethyl-9,10-dihydroanthracene
• Synonyms: 2,7,9-TRIMETHYL-9,10-DIHYDROANTHRACENE

Database IDs

• PubChem SID: 162106517
• PubChem CID: 20645306

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.49745
• LogD (pH = 7.4): 5.49745
• Log P: 5.49745
• Molar Refractivity: 74.1054 cm^3
• Polarizability: 28.192009 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05219432

MP Biomedicals Rare Chemical collection