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

C17H28O2 — CID 14694536

IUPAC2,6-ditert-butyl-4-(ethoxymethyl)phenol
SMILESCCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28O2/c1-8-19-11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3
InChIKeyUCKUPWJWVMQSKH-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.52
Rot. Bonds3

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

2,6-ditert-butyl-4-(ethoxymethyl)phenol (PubChem CID 14694536) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(ethoxymethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(ethoxymethyl)phenol
PubChem CID14694536
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2,6-ditert-butyl-4-(ethoxymethyl)phenol
SMILESCCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28O2/c1-8-19-11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3
InChIKeyUCKUPWJWVMQSKH-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(ethoxymethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(ethoxymethyl)phenol (CID 14694536) is 2,6-ditert-butyl-4-(ethoxymethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(ethoxymethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(ethoxymethyl)phenol is CCOCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(ethoxymethyl)phenol?
The InChIKey is UCKUPWJWVMQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-8-19-11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-(ethoxymethyl)phenol?
2,6-ditert-butyl-4-(ethoxymethyl)phenol has a molecular weight of 264.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(ethoxymethyl)phenol is sourced from PubChem (CID 14694536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).