Cas no 1330-62-7 (2-Benzyl-3-methylphenol)

2-Benzyl-3-methylphenol structure
2-Benzyl-3-methylphenol structure
Product Name:2-Benzyl-3-methylphenol
CAS No:1330-62-7
MF:C14H14O
MW:198.260364055634
CID:168645
PubChem ID:3839682
Update Time:2025-04-19

2-Benzyl-3-methylphenol Chemical and Physical Properties

Names and Identifiers

    • 2-Benzyl-3-methylphenol
    • benzylcresol
    • Phenol,methyl(phenylmethyl)-
    • 2-benzyl-4-methylphenol
    • 2-benzyl-6-methylphenol
    • 1330-62-7
    • NS00124428
    • 2-benzyl-6-methyl-phenol
    • EINECS 215-543-0
    • SCHEMBL3725692
    • Phenol, methyl(phenylmethyl)-
    • DTXSID30927897
    • Inchi: 1S/C14H14O/c1-11-6-5-9-13(14(11)15)10-12-7-3-2-4-8-12/h2-9,15H,10H2,1H3
    • InChI Key: POAKQNVLXHHUDM-UHFFFAOYSA-N
    • SMILES: OC1C(C)=CC=CC=1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 198.10452
  • Monoisotopic Mass: 198.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 184
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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