1-methoxy-3-(prop-2-yn-1-yloxy)benzene

• ChemBase ID: 271217
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: C(#C)COc1cc(OC)ccc1
• Canonical SMILES: C#CCOc1cccc(c1)OC
• InChI: InChI=1S/C10H10O2/c1-3-7-12-10-6-4-5-9(8-10)11-2/h1,4-6,8H,7H2,2H3
• InChIKey: BBWUXCBYJNMFCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-3-(prop-2-yn-1-yloxy)benzene
• IUPAC Traditional name: 1-methoxy-3-(prop-2-yn-1-yloxy)benzene
• Synonyms: 1-methoxy-3-(prop-2-yn-1-yloxy)benzene

Database IDs

• MDL Number: MFCD14631228
• PubChem SID: 164327127
• PubChem CID: 12759700

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8859863
• LogD (pH = 7.4): 1.8859863
• Log P: 1.8859863
• Molar Refractivity: 46.5646 cm^3
• Polarizability: 17.94645 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.75

Product Information

• Purity: 95%