5-methoxynaphthalen-1-ol

• ChemBase ID: 173059
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: c1(cccc2c1cccc2OC)O
• Canonical SMILES: COc1cccc2c1cccc2O
• InChI: InChI=1S/C11H10O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3
• InChIKey: WLZPYTDCBHITRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxynaphthalen-1-ol
• IUPAC Traditional name: 5-methoxynaphthalen-1-ol
• Synonyms: 1,5-Naphthohydroquinone Monomethyl Ether; 1-Hydroxy-5-methoxynaphthalene; 5-Methoxy-1-naphthalenol

Database IDs

• CAS Number: 3588-80-5
• PubChem SID: 164228969
• PubChem CID: 11062901

CALCULATED PROPERTIES

• Acid pKa: 9.509824
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5014439
• LogD (pH = 7.4): 2.4981475
• Log P: 2.501486
• Molar Refractivity: 50.9523 cm^3
• Polarizability: 21.0013 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Methanol
• Apperance: Brown Solid