4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol

C13H20O2 — CID 70581973

IUPAC4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(C(C)(C)O)c1
InChIInChI=1S/C13H20O2/c1-12(2,3)9-6-7-11(14)10(8-9)13(4,5)15/h6-8,14-15H,1-5H3
InChIKeyVBHCGDILEAXSIP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.92
Rot. Bonds1

About 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol

4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol (PubChem CID 70581973) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
PubChem CID70581973
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(C(C)(C)O)c1
InChIInChI=1S/C13H20O2/c1-12(2,3)9-6-7-11(14)10(8-9)13(4,5)15/h6-8,14-15H,1-5H3
InChIKeyVBHCGDILEAXSIP-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
4-tert-butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
CID 142766512
2-(5-tert-butyl-2-fluorophenyl)propan-2-ol
CID 155202615
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
4-tert-butyl-2-fluorophenol
CID 11062790
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
CID 23082212
4-[2-[4-[2-[4-hydroxy-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486207
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
4-tert-butyl-2-propan-2-ylphenol;formaldehyde
CID 174874962
(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium
CID 23621756
4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol?
The IUPAC name of 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol (CID 70581973) is 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol is CC(C)(C)c1ccc(O)c(C(C)(C)O)c1.
What is the InChIKey of 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol?
The InChIKey is VBHCGDILEAXSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2,3)9-6-7-11(14)10(8-9)13(4,5)15/h6-8,14-15H,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol?
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol has a molecular weight of 208.30 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 70581973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).