4-methoxy-7-methyl-2,3-dihydro-1H-indene

• ChemBase ID: 79370
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: O(c1ccc(c2c1CCC2)C)C
• Canonical SMILES: COc1ccc(c2c1CCC2)C
• InChI: InChI=1S/C11H14O/c1-8-6-7-11(12-2)10-5-3-4-9(8)10/h6-7H,3-5H2,1-2H3
• InChIKey: WLLDRYXQMFGAKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-7-methyl-2,3-dihydro-1H-indene
• IUPAC Traditional name: 4-methoxy-7-methyl-2,3-dihydro-1H-indene
• Synonyms: 4-methoxy-7-methylindane

Database IDs

• CAS Number: 175136-08-0
• MDL Number: MFCD00173679
• PubChem SID: 162044133
• PubChem CID: 2775012

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3366814
• LogD (pH = 7.4): 3.3366814
• Log P: 3.3366814
• Molar Refractivity: 50.4436 cm^3
• Polarizability: 19.263247 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true