2,6-ditert-butyl-4-(dimethoxymethyl)phenol

C17H28O3 — CID 15356815

IUPAC2,6-ditert-butyl-4-(dimethoxymethyl)phenol
SMILESCOC(OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28O3/c1-16(2,3)12-9-11(15(19-7)20-8)10-13(14(12)18)17(4,5)6/h9-10,15,18H,1-8H3
InChIKeyYIUWMODAWJQHQO-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.28
Rot. Bonds3

About 2,6-ditert-butyl-4-(dimethoxymethyl)phenol

2,6-ditert-butyl-4-(dimethoxymethyl)phenol (PubChem CID 15356815) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(dimethoxymethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(dimethoxymethyl)phenol
PubChem CID15356815
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2,6-ditert-butyl-4-(dimethoxymethyl)phenol
SMILESCOC(OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28O3/c1-16(2,3)12-9-11(15(19-7)20-8)10-13(14(12)18)17(4,5)6/h9-10,15,18H,1-8H3
InChIKeyYIUWMODAWJQHQO-UHFFFAOYSA-N
XLogP4.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(dimethoxymethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(dimethoxymethyl)phenol (CID 15356815) is 2,6-ditert-butyl-4-(dimethoxymethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(dimethoxymethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(dimethoxymethyl)phenol is COC(OC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(dimethoxymethyl)phenol?
The InChIKey is YIUWMODAWJQHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-16(2,3)12-9-11(15(19-7)20-8)10-13(14(12)18)17(4,5)6/h9-10,15,18H,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(dimethoxymethyl)phenol?
2,6-ditert-butyl-4-(dimethoxymethyl)phenol has a molecular weight of 280.41 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(dimethoxymethyl)phenol is sourced from PubChem (CID 15356815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).