1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

• ChemBase ID: 106148
• Molecular Formular: C20H22O2
• Molecular Mass: 294.38748
• Monoisotopic Mass: 294.16197994
• SMILES: OC1CCc2ccccc2C1c1c(O)ccc2c1CCCC2
• Canonical SMILES: OC1CCc2c(C1c1c(O)ccc3c1CCCC3)cccc2
• InChI: InChI=1S/C20H22O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1,3,5,7,10,12,17,19,21-22H,2,4,6,8-9,11H2
• InChIKey: JBCBYNGJYXMUKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
• IUPAC Traditional name: 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
• Synonyms: S(-)-1,1'-BI-2-NAPHTHOL

Database IDs

• CAS Number: 18531-99-2
• PubChem SID: 162092968
• PubChem CID: 44134573

CALCULATED PROPERTIES

• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 10.533515
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.686243
• LogD (pH = 7.4): 4.68593
• Log P: 4.6862473
• Molar Refractivity: 89.2394 cm^3
• Polarizability: 34.117905 Å^3

PROPERTIES

Product Information

• Purity: >99%

DETAILS

MP Biomedicals - 02199546

White powder.
Optical Purity: >99%
Chemical Purity: >99%