2,3,4,5,6-pentamethylphenol

C11H16O — CID 17783

IUPAC2,3,4,5,6-pentamethylphenol
SMILESCc1c(C)c(C)c(O)c(C)c1C
InChIInChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3
InChIKeyWALBTDFSFTVXII-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.93
Rot. Bonds

About 2,3,4,5,6-pentamethylphenol

2,3,4,5,6-pentamethylphenol (PubChem CID 17783) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylphenol.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylphenol
PubChem CID17783
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2,3,4,5,6-pentamethylphenol
SMILESCc1c(C)c(C)c(O)c(C)c1C
InChIInChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3
InChIKeyWALBTDFSFTVXII-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylphenol?
The IUPAC name of 2,3,4,5,6-pentamethylphenol (CID 17783) is 2,3,4,5,6-pentamethylphenol.
What is the SMILES notation for 2,3,4,5,6-pentamethylphenol?
The canonical SMILES for 2,3,4,5,6-pentamethylphenol is Cc1c(C)c(C)c(O)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethylphenol?
The InChIKey is WALBTDFSFTVXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-6-7(2)9(4)11(12)10(5)8(6)3/h12H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethylphenol?
2,3,4,5,6-pentamethylphenol has a molecular weight of 164.25 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylphenol is sourced from PubChem (CID 17783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).