3,5-diethyl-2,6-dimethylphenol

C12H18O — CID 23451688

IUPAC3,5-diethyl-2,6-dimethylphenol
SMILESCCc1cc(CC)c(C)c(O)c1C
InChIInChI=1S/C12H18O/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h7,13H,5-6H2,1-4H3
InChIKeyVXMPJTQBRCTEIW-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.13
Rot. Bonds2

About 3,5-diethyl-2,6-dimethylphenol

3,5-diethyl-2,6-dimethylphenol (PubChem CID 23451688) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3,5-diethyl-2,6-dimethylphenol.

Molecular Properties

Compound Name3,5-diethyl-2,6-dimethylphenol
PubChem CID23451688
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3,5-diethyl-2,6-dimethylphenol
SMILESCCc1cc(CC)c(C)c(O)c1C
InChIInChI=1S/C12H18O/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h7,13H,5-6H2,1-4H3
InChIKeyVXMPJTQBRCTEIW-UHFFFAOYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-diethyl-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2,6-dimethylphenol?
The IUPAC name of 3,5-diethyl-2,6-dimethylphenol (CID 23451688) is 3,5-diethyl-2,6-dimethylphenol.
What is the SMILES notation for 3,5-diethyl-2,6-dimethylphenol?
The canonical SMILES for 3,5-diethyl-2,6-dimethylphenol is CCc1cc(CC)c(C)c(O)c1C.
What is the InChIKey of 3,5-diethyl-2,6-dimethylphenol?
The InChIKey is VXMPJTQBRCTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-10-7-11(6-2)9(4)12(13)8(10)3/h7,13H,5-6H2,1-4H3.
What are the key properties of 3,5-diethyl-2,6-dimethylphenol?
3,5-diethyl-2,6-dimethylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2,6-dimethylphenol is sourced from PubChem (CID 23451688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).