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

C15H24O2 — CID 6929

IUPAC2,6-ditert-butyl-4-(hydroxymethyl)phenol
SMILESCC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
InChIKeyHNURKXXMYARGAY-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.48
Rot. Bonds1

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

2,6-ditert-butyl-4-(hydroxymethyl)phenol (PubChem CID 6929) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(hydroxymethyl)phenol
PubChem CID6929
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,6-ditert-butyl-4-(hydroxymethyl)phenol
SMILESCC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
InChIKeyHNURKXXMYARGAY-UHFFFAOYSA-N
XLogP3.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(hydroxymethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(hydroxymethyl)phenol (CID 6929) is 2,6-ditert-butyl-4-(hydroxymethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(hydroxymethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(hydroxymethyl)phenol is CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(hydroxymethyl)phenol?
The InChIKey is HNURKXXMYARGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(hydroxymethyl)phenol?
2,6-ditert-butyl-4-(hydroxymethyl)phenol has a molecular weight of 236.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(hydroxymethyl)phenol is sourced from PubChem (CID 6929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).