5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol

C19H26O2 — CID 70978775

IUPAC5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C)c(O)c1C
InChIInChI=1S/C10H14O.C9H12O/c1-7(2)9-5-4-8(3)6-10(9)11;1-6-4-5-7(2)9(10)8(6)3/h4-7,11H,1-3H3;4-5,10H,1-3H3
InChIKeySIZUTSLYNPKXKY-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.14
Rot. Bonds1

About 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol

5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol (PubChem CID 70978775) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
PubChem CID70978775
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
SMILESCc1ccc(C(C)C)c(O)c1.Cc1ccc(C)c(O)c1C
InChIInChI=1S/C10H14O.C9H12O/c1-7(2)9-5-4-8(3)6-10(9)11;1-6-4-5-7(2)9(10)8(6)3/h4-7,11H,1-3H3;4-5,10H,1-3H3
InChIKeySIZUTSLYNPKXKY-UHFFFAOYSA-N
XLogP5.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol
CID 68551781
2,3,5-trimethylphenol;2,3,6-trimethylphenol
CID 70540570
decan-1-ol;5-methyl-2-propan-2-ylphenol
CID 158013264
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
5-methyl-2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]phenol
CID 82977659
3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol
CID 70144802

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol?
The IUPAC name of 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol (CID 70978775) is 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol.
What is the SMILES notation for 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol?
The canonical SMILES for 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol is Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C)c(O)c1C.
What is the InChIKey of 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol?
The InChIKey is SIZUTSLYNPKXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H12O/c1-7(2)9-5-4-8(3)6-10(9)11;1-6-4-5-7(2)9(10)8(6)3/h4-7,11H,1-3H3;4-5,10H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol?
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol has a molecular weight of 286.42 g/mol, XLogP of 5.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol is sourced from PubChem (CID 70978775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).