4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol

C17H20O2 — CID 90980737

IUPAC4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
SMILESCc1cccc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C17H20O2/c1-11(2)15-10-14(8-9-16(15)18)19-17-12(3)6-5-7-13(17)4/h5-11,18H,1-4H3
InChIKeyQLODTOZDEKQALS-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.92
Rot. Bonds3

About 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol

4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol (PubChem CID 90980737) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
PubChem CID90980737
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
SMILESCc1cccc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C17H20O2/c1-11(2)15-10-14(8-9-16(15)18)19-17-12(3)6-5-7-13(17)4/h5-11,18H,1-4H3
InChIKeyQLODTOZDEKQALS-UHFFFAOYSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol 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 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol?
The IUPAC name of 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol (CID 90980737) is 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol.
What is the SMILES notation for 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol?
The canonical SMILES for 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol is Cc1cccc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol?
The InChIKey is QLODTOZDEKQALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-11(2)15-10-14(8-9-16(15)18)19-17-12(3)6-5-7-13(17)4/h5-11,18H,1-4H3.
What are the key properties of 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol?
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol has a molecular weight of 256.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol is sourced from PubChem (CID 90980737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).