tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-ol

• ChemBase ID: 295813
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: c1ccc2c(c1)CCc1c(cccc1O)C2
• Canonical SMILES: Oc1cccc2c1CCc1c(C2)cccc1
• InChI: InChI=1S/C15H14O/c16-15-7-3-6-13-10-12-5-2-1-4-11(12)8-9-14(13)15/h1-7,16H,8-10H2
• InChIKey: FAAPTPDNTLVVNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[9.4.0.0^3,^8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-ol
• IUPAC Traditional name: tricyclo[9.4.0.0^3,^8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-ol
• Synonyms: 10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ol; Dibenzosuberol; 二苯并环庚醇

Database IDs

• CAS Number: 1210-34-0
• EC Number: 214-911-8
• MDL Number: MFCD00003593
• Beilstein Number: 520430
• PubChem SID: 180681344
• PubChem CID: 7567859

CALCULATED PROPERTIES

• Acid pKa: 10.304013
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3245845
• LogD (pH = 7.4): 4.324053
• Log P: 4.324591
• Molar Refractivity: 66.0563 cm^3
• Polarizability: 25.126451 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-94°C
• Boiling Point: 166-169°C/1mm

Safety Information

• RTECS: HP1100000
• TSCA Listed: 否

Product Information

• Purity: 98%