CC1=CC(=C(C(=C1)O)C)C
CAS: 697-82-5
Name: 2,3,5-trimethylphenol
SMILES: CC1=CC(=C(C(=C1)O)C)C

Molecular Processing

Molecular formula
C9H12O
Molecular weight
136.19
Exact mass
136.0888
XLogP
2.32
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
42.32

Supplementary Information

InChIKey: OGRAOKJKVGDSFR-UHFFFAOYSA-N
Synonyme
2,3,5-TRIMETHYLPHENOL697-82-5IsopseudocumenolPhenol, 2,3,5-trimethyl-1-Hydroxy-2,3,5-trimethylbenzene6-HYDROXYPSEUDOCUMENEDTXSID3047184Phenol, 2,3,5(or 3,4,5)-trimethyl-1S1061ZBQ1NSC 5296NSC-5296EINECS 211-806-9DTXCID1027184CHEBI:38570METACRESOL IMPURITY M [EP IMPURITY]METACRESOL IMPURITY M (EP IMPURITY)RefChem:441843Phenol, 2,3,5trimethyl1Hydroxy2,3,5trimethylbenzene211-806-9InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3HMFCD0000222870969-66-32,3,5-TrimethyphenolUNII-1S1061ZBQ1NSC5296Phenol,3,5-trimethyl-Metacresol EP Impurity M2,3,5-trimethyl-phenol2, 3, 5-Trimethylphenol
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