2,3,6-trimethylphenol

C9H12O — CID 17016

IUPAC2,3,6-trimethylphenol
SMILESCc1ccc(C)c(O)c1C
InChIInChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKeyQQOMQLYQAXGHSU-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.32
Rot. Bonds

About 2,3,6-trimethylphenol

2,3,6-trimethylphenol (PubChem CID 17016) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2,3,6-trimethylphenol.

Molecular Properties

Compound Name2,3,6-trimethylphenol
PubChem CID17016
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2,3,6-trimethylphenol
SMILESCc1ccc(C)c(O)c1C
InChIInChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKeyQQOMQLYQAXGHSU-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylphenol?
The IUPAC name of 2,3,6-trimethylphenol (CID 17016) is 2,3,6-trimethylphenol.
What is the SMILES notation for 2,3,6-trimethylphenol?
The canonical SMILES for 2,3,6-trimethylphenol is Cc1ccc(C)c(O)c1C.
What is the InChIKey of 2,3,6-trimethylphenol?
The InChIKey is QQOMQLYQAXGHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3.
What are the key properties of 2,3,6-trimethylphenol?
2,3,6-trimethylphenol has a molecular weight of 136.19 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylphenol is sourced from PubChem (CID 17016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).