CC1=C(C(=C(C=C1)C)O)C
CAS: 2416-94-6
Name: 2,3,6-trimethylphenol
SMILES: CC1=C(C(=C(C=C1)C)O)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: QQOMQLYQAXGHSU-UHFFFAOYSA-N
Synonyme
2,3,6-TRIMETHYLPHENOL2416-94-63-HydroxypseudocumenePhenol, 2,3,6-trimethyl-1-Hydroxy-2,3,6-trimethylbenzeneDTXSID6022187HSDB 5876UNII-05WKL2L5LJEINECS 219-330-305WKL2L5LJNSC 91509NSC-91509DTXCID602187FEMA NO. 3963EC 219-330-32,3,6-TRIMETHYLPHENOL [FHFI]2,3,6-TRIMETHYLPHENOL [HSDB]3HydroxypseudocumeneRefChem:81455Phenol, 2,3,6trimethyl1Hydroxy2,3,6trimethylbenzeneUN2430219-330-3InChI=1/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3HQQOMQLYQAXGHSU-UHFFFAOYSA-N2,3,6-trimethyl-phenolMFCD00002229fema 396325511-57-3CAS-2416-94-6
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