2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol

C22H30O2 — CID 91693696

IUPAC2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(O)c2ccccc2)c1
InChIInChI=1S/C22H30O2/c1-20(2,3)16-13-17(21(4,5)6)19(23)18(14-16)22(7,24)15-11-9-8-10-12-15/h8-14,23-24H,1-7H3
InChIKeyKJUXVMNGELXRPK-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.24
Rot. Bonds2

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

2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol (PubChem CID 91693696) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
PubChem CID91693696
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(O)c2ccccc2)c1
InChIInChI=1S/C22H30O2/c1-20(2,3)16-13-17(21(4,5)6)19(23)18(14-16)22(7,24)15-11-9-8-10-12-15/h8-14,23-24H,1-7H3
InChIKeyKJUXVMNGELXRPK-UHFFFAOYSA-N
XLogP5.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-phenylpropanoic acid
CID 152546221
4-tert-butyl-2-[5-tert-butyl-2-hydroxy-3-[hydroxy(diphenyl)methyl]phenyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 122373316
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
CID 135046337
CID 135046337
2,4-ditert-butyl-6-phenylsulfanylphenol
CID 12058921
1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 64985168
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
CID 10562254
4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
4-(4-anilinoanilino)-2,6-ditert-butylphenol
CID 14649918

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol (CID 91693696) is 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol is CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(O)c2ccccc2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol?
The InChIKey is KJUXVMNGELXRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-20(2,3)16-13-17(21(4,5)6)19(23)18(14-16)22(7,24)15-11-9-8-10-12-15/h8-14,23-24H,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol?
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol has a molecular weight of 326.48 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol is sourced from PubChem (CID 91693696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).