5-methoxy-1H-indene

• ChemBase ID: 293727
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: COc1ccc2CC=Cc2c1
• Canonical SMILES: COc1ccc2c(c1)C=CC2
• InChI: InChI=1S/C10H10O/c1-11-10-6-5-8-3-2-4-9(8)7-10/h2,4-7H,3H2,1H3
• InChIKey: JKUYMLAKNNWKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1H-indene
• IUPAC Traditional name: 5-methoxy-1H-indene
• Synonyms: 5-Methoxy-1H-indene

Database IDs

• CAS Number: 3469-07-6
• PubChem SID: 180679258
• PubChem CID: 12721901

CALCULATED PROPERTIES

• Acid pKa: 18.836102
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5440385
• LogD (pH = 7.4): 2.5440385
• Log P: 2.5440385
• Molar Refractivity: 46.519 cm^3
• Polarizability: 17.494905 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%