1,5-dimethoxynaphthalene

• ChemBase ID: 139496
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: COc1cccc2c1cccc2OC
• Canonical SMILES: COc1cccc2c1cccc2OC
• InChI: InChI=1S/C12H12O2/c1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2/h3-8H,1-2H3
• InChIKey: ANCSPRJFGGDREM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dimethoxynaphthalene
• IUPAC Traditional name: 1,5-dimethoxynaphthalene
• Synonyms: 1,5-Dimethoxynaphthalene; 1,5-二甲氧基萘

Database IDs

• CAS Number: 10075-63-5
• MDL Number: MFCD00086779
• PubChem SID: 162233744; 24881455
• PubChem CID: 252527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.64738
• LogD (pH = 7.4): 2.64738
• Log P: 2.64738
• Molar Refractivity: 55.4346 cm^3
• Polarizability: 22.924158 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180-184 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C10H6(OCH3)2

DETAILS

Sigma Aldrich - 593567

Packaging
5 g in glass bottle