8-methoxy-6-methyl-2H-chromene-3-sulfonyl chloride

• ChemBase ID: 281922
• Molecular Formular: C11H11ClO4S
• Molecular Mass: 274.72064
• Monoisotopic Mass: 274.00665751
• SMILES: S(=O)(=O)(C1=Cc2c(OC1)c(cc(c2)C)OC)Cl
• Canonical SMILES: COc1cc(C)cc2c1OCC(=C2)S(=O)(=O)Cl
• InChI: InChI=1S/C11H11ClO4S/c1-7-3-8-5-9(17(12,13)14)6-16-11(8)10(4-7)15-2/h3-5H,6H2,1-2H3
• InChIKey: IHIOFKPOEQVTDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-6-methyl-2H-chromene-3-sulfonyl chloride
• IUPAC Traditional name: 8-methoxy-6-methyl-2H-chromene-3-sulfonyl chloride
• Synonyms: 8-methoxy-6-methyl-2H-chromene-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD16040210
• PubChem SID: 180667453
• PubChem CID: 47003575

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.111489
• LogD (pH = 7.4): 2.111489
• Log P: 2.111489
• Molar Refractivity: 67.0044 cm^3
• Polarizability: 26.060667 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.493

Product Information

• Purity: 95%