(2-methoxyphenyl)(phenyl)methanone

• ChemBase ID: 84000
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: O=C(c1c(cccc1)OC)c1ccccc1
• Canonical SMILES: COc1ccccc1C(=O)c1ccccc1
• InChI: InChI=1S/C14H12O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
• InChIKey: CSUUDNFYSFENAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)(phenyl)methanone
• IUPAC Traditional name: (2-methoxyphenyl)(phenyl)methanone
• Synonyms: (2-Methoxyphenyl)(phenyl)methanone; 2-Methoxybenzophenone; 2-Methoxybenzophenone; o-METHOXYBENZOPHENONE; 2-甲氧基苯并苯酮

Database IDs

• CAS Number: 2553-04-0
• EC Number: 219-857-9
• MDL Number: MFCD00017163
• Beilstein Number: 1873339
• PubChem SID: 162071116
• PubChem CID: 75702

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2749276
• LogD (pH = 7.4): 3.2749276
• Log P: 3.2749276
• Molar Refractivity: 63.0967 cm^3
• Polarizability: 24.512259 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-38°C; 36-38°C
• Boiling Point: 149-150°C/1mm; 149-150°C/1mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05204161

MP Biomedicals Rare Chemical collection