2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

C15H26O2 — CID 68722196

IUPAC2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC=CC(CO)(C(C)(C)C)C1O
InChIInChI=1S/C15H26O2/c1-13(2,3)11-8-7-9-15(10-16,12(11)17)14(4,5)6/h7-9,12,16-17H,10H2,1-6H3
InChIKeyTXOZUMFXMPRRIC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.91
Rot. Bonds1

About 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol

2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 68722196) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
PubChem CID68722196
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
SMILESCC(C)(C)C1=CC=CC(CO)(C(C)(C)C)C1O
InChIInChI=1S/C15H26O2/c1-13(2,3)11-8-7-9-15(10-16,12(11)17)14(4,5)6/h7-9,12,16-17H,10H2,1-6H3
InChIKeyTXOZUMFXMPRRIC-UHFFFAOYSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol 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 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol (CID 68722196) is 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is CC(C)(C)C1=CC=CC(CO)(C(C)(C)C)C1O.
What is the InChIKey of 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is TXOZUMFXMPRRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2,3)11-8-7-9-15(10-16,12(11)17)14(4,5)6/h7-9,12,16-17H,10H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol?
2,6-ditert-butyl-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.91, 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-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68722196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).