4-(2,3-dihydro-1H-inden-1-yl)phenol

• ChemBase ID: 106844
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: Oc1ccc(cc1)C1CCc2ccccc12
• Canonical SMILES: Oc1ccc(cc1)C1CCc2c1cccc2
• InChI: InChI=1S/C15H14O/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15-16H,7,10H2
• InChIKey: GISZMQWQAFRGHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1H-inden-1-yl)phenol
• IUPAC Traditional name: 4-(2,3-dihydro-1H-inden-1-yl)phenol
• Synonyms: P-(-INDANYL)PHENOL

Database IDs

• CAS Number: 5402-37-9
• PubChem SID: 162089051
• PubChem CID: 221137

CALCULATED PROPERTIES

• Acid pKa: 10.093714
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.098178
• LogD (pH = 7.4): 4.097316
• Log P: 4.098189
• Molar Refractivity: 65.5637 cm^3
• Polarizability: 25.205061 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201620

MP Biomedicals Rare Chemical collection