2,4-dimethylphenol;2,6-dimethylphenol;methane

C17H24O2 — CID 162172477

IUPAC2,4-dimethylphenol;2,6-dimethylphenol;methane
SMILESC.Cc1ccc(O)c(C)c1.Cc1cccc(C)c1O
InChIInChI=1S/2C8H10O.CH4/c1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-7(2)8(6)9;/h2*3-5,9H,1-2H3;1H4
InChIKeyZNYXTOAGKYFKPL-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.65
Rot. Bonds

About 2,4-dimethylphenol;2,6-dimethylphenol;methane

2,4-dimethylphenol;2,6-dimethylphenol;methane (PubChem CID 162172477) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,4-dimethylphenol;2,6-dimethylphenol;methane.

Molecular Properties

Compound Name2,4-dimethylphenol;2,6-dimethylphenol;methane
PubChem CID162172477
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2,4-dimethylphenol;2,6-dimethylphenol;methane
SMILESC.Cc1ccc(O)c(C)c1.Cc1cccc(C)c1O
InChIInChI=1S/2C8H10O.CH4/c1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-7(2)8(6)9;/h2*3-5,9H,1-2H3;1H4
InChIKeyZNYXTOAGKYFKPL-UHFFFAOYSA-N
XLogP4.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylphenol
CID 67713801
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
2,6-dimethylphenol;2,3,5-trimethylphenol
CID 69435633
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905
2,3-dimethylphenol;2,4-dimethylphenol;2,5-dimethylphenol;2,6-dimethylphenol;3,4-dimethylphenol;ethane-1,2-diol
CID 174805086
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370
2-(4-hydroxy-3-methylphenoxy)-6-methylphenol
CID 66844209
3-methylbenzene-1,2-diol
CID 135381405

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylphenol;2,6-dimethylphenol;methane?
The IUPAC name of 2,4-dimethylphenol;2,6-dimethylphenol;methane (CID 162172477) is 2,4-dimethylphenol;2,6-dimethylphenol;methane.
What is the SMILES notation for 2,4-dimethylphenol;2,6-dimethylphenol;methane?
The canonical SMILES for 2,4-dimethylphenol;2,6-dimethylphenol;methane is C.Cc1ccc(O)c(C)c1.Cc1cccc(C)c1O.
What is the InChIKey of 2,4-dimethylphenol;2,6-dimethylphenol;methane?
The InChIKey is ZNYXTOAGKYFKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O.CH4/c1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-7(2)8(6)9;/h2*3-5,9H,1-2H3;1H4.
What are the key properties of 2,4-dimethylphenol;2,6-dimethylphenol;methane?
2,4-dimethylphenol;2,6-dimethylphenol;methane has a molecular weight of 260.38 g/mol, XLogP of 4.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylphenol;2,6-dimethylphenol;methane is sourced from PubChem (CID 162172477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).