2,6-dimethylphenol;2,3,5-trimethylphenol

C17H22O2 — CID 69435633

IUPAC2,6-dimethylphenol;2,3,5-trimethylphenol
SMILESCc1cc(C)c(C)c(O)c1.Cc1cccc(C)c1O
InChIInChI=1S/C9H12O.C8H10O/c1-6-4-7(2)8(3)9(10)5-6;1-6-4-3-5-7(2)8(6)9/h4-5,10H,1-3H3;3-5,9H,1-2H3
InChIKeyAIXLQDLKJLOUMX-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.33
Rot. Bonds

About 2,6-dimethylphenol;2,3,5-trimethylphenol

2,6-dimethylphenol;2,3,5-trimethylphenol (PubChem CID 69435633) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,6-dimethylphenol;2,3,5-trimethylphenol.

Molecular Properties

Compound Name2,6-dimethylphenol;2,3,5-trimethylphenol
PubChem CID69435633
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2,6-dimethylphenol;2,3,5-trimethylphenol
SMILESCc1cc(C)c(C)c(O)c1.Cc1cccc(C)c1O
InChIInChI=1S/C9H12O.C8H10O/c1-6-4-7(2)8(3)9(10)5-6;1-6-4-3-5-7(2)8(6)9/h4-5,10H,1-3H3;3-5,9H,1-2H3
InChIKeyAIXLQDLKJLOUMX-UHFFFAOYSA-N
XLogP4.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-trimethylphenol;2,3,6-trimethylphenol
CID 70540570
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
3-methylbenzene-1,2-diol
CID 135381405
2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
CID 101299108
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
methylimino(oxo)methane;2,3,5-trimethylphenol
CID 175431891
2-(3-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol
CID 101299431
3,5-dimethylbenzene-1,2-diol;3,4,5-trimethylbenzene-1,2-diol
CID 22492701
2,3-dimethylphenol;2,5-dimethylphenol;zirconium;hydrochloride
CID 173197082
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylphenol;2,3,5-trimethylphenol?
The IUPAC name of 2,6-dimethylphenol;2,3,5-trimethylphenol (CID 69435633) is 2,6-dimethylphenol;2,3,5-trimethylphenol.
What is the SMILES notation for 2,6-dimethylphenol;2,3,5-trimethylphenol?
The canonical SMILES for 2,6-dimethylphenol;2,3,5-trimethylphenol is Cc1cc(C)c(C)c(O)c1.Cc1cccc(C)c1O.
What is the InChIKey of 2,6-dimethylphenol;2,3,5-trimethylphenol?
The InChIKey is AIXLQDLKJLOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H10O/c1-6-4-7(2)8(3)9(10)5-6;1-6-4-3-5-7(2)8(6)9/h4-5,10H,1-3H3;3-5,9H,1-2H3.
What are the key properties of 2,6-dimethylphenol;2,3,5-trimethylphenol?
2,6-dimethylphenol;2,3,5-trimethylphenol has a molecular weight of 258.36 g/mol, XLogP of 4.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylphenol;2,3,5-trimethylphenol is sourced from PubChem (CID 69435633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).