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4,4'-methylenebis (3-methylphenol)

CAT: 1596-AR-P02266-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02266-01Size:10 Units
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CAS Number
15534-74-4
Synonyms
4,4'-methylenebis (3-methylphenol) ; 4,4'-Methylenedi-m-cresol
Molecular Formula
C15H16O2
Molecular Weight
228.29
API Name
Policresulen

Chemical Information

4-[(4-Hydroxy-2-methylphenyl)methyl]-3-methylphenol
CAS Number15534-74-4
PubChem CID12247861
IUPAC Name4-[(4-hydroxy-2-methylphenyl)methyl]-3-methylphenol
Molecular FormulaC15H16O2
Molecular Weight228.29
XLogP3.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity217
SMILES
CC1=C(C=CC(=C1)O)CC2=C(C=C(C=C2)O)C
InChI
InChI=1S/C15H16O2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h3-8,16-17H,9H2,1-2H3
InChIKey
WKNMHADBVOPGEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(4-Hydroxy-2-methylphenyl)methyl]-3-methylphenol
CAS: 15534-74-4
CID: 12247861
Formula: C15H16O2
MW: 228.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight228.29
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass228.115029749
Monoisotopic Mass228.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes