2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol

C16H24O2 — CID 143396007

IUPAC2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
SMILESC=C(O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,17-18H,1H2,2-7H3
InChIKeyHTMDAFYLQGGECT-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.52
Rot. Bonds1

About 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol

2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol (PubChem CID 143396007) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
PubChem CID143396007
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
SMILESC=C(O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,17-18H,1H2,2-7H3
InChIKeyHTMDAFYLQGGECT-UHFFFAOYSA-N
XLogP4.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
CID 135699520
CID 153384878
CID 153384878
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol;hydrochloride
CID 175666737
5-tert-butyl-4-hydroxybenzene-1,3-dicarboxylic acid
CID 71441710
2-chloro-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 14210977
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol (CID 143396007) is 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol is C=C(O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol?
The InChIKey is HTMDAFYLQGGECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,17-18H,1H2,2-7H3.
What are the key properties of 2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol?
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol has a molecular weight of 248.37 g/mol, XLogP of 4.52, 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-(1-hydroxyethenyl)phenol is sourced from PubChem (CID 143396007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).