6-methoxynaphthalen-2-ol

• ChemBase ID: 152483
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: COc1ccc2cc(ccc2c1)O
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)O
• InChI: InChI=1S/C11H10O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,12H,1H3
• InChIKey: WWPKRXOOVICNJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxynaphthalen-2-ol
• IUPAC Traditional name: 6-methoxynaphthalen-2-ol
• Synonyms: 2-Hydroxy-6-methoxynaphthalene; 6-Methoxy-2-naphthol; 6-methoxy-2-naphthol; 2-羟基-6-甲氧基萘; 6-甲氧基-2-萘酚

Database IDs

• CAS Number: 5111-66-0
• MDL Number: MFCD00088677
• Beilstein Number: 2043873
• PubChem SID: 24883814; 162246628
• PubChem CID: 288634

CALCULATED PROPERTIES

• Acid pKa: 9.793507
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5014641
• LogD (pH = 7.4): 2.499745
• Log P: 2.501486
• Molar Refractivity: 50.9523 cm^3
• Polarizability: 20.993502 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-152 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); 97%
• Empirical Formula (Hill Notation): C11H10O2

DETAILS

Sigma Aldrich - 65125

Packaging
5, 25 g in glass bottle