2-tert-butyl-4-(4-cyclohexylphenyl)phenol

C22H28O — CID 19694694

IUPAC2-tert-butyl-4-(4-cyclohexylphenyl)phenol
SMILESCC(C)(C)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1O
InChIInChI=1S/C22H28O/c1-22(2,3)20-15-19(13-14-21(20)23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16,23H,4-8H2,1-3H3
InChIKeyISJIPHYVSYLOBW-UHFFFAOYSA-N
MW308.47 g/mol
LogP6.40
Rot. Bonds2

About 2-tert-butyl-4-(4-cyclohexylphenyl)phenol

2-tert-butyl-4-(4-cyclohexylphenyl)phenol (PubChem CID 19694694) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-cyclohexylphenyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(4-cyclohexylphenyl)phenol
PubChem CID19694694
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name2-tert-butyl-4-(4-cyclohexylphenyl)phenol
SMILESCC(C)(C)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1O
InChIInChI=1S/C22H28O/c1-22(2,3)20-15-19(13-14-21(20)23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16,23H,4-8H2,1-3H3
InChIKeyISJIPHYVSYLOBW-UHFFFAOYSA-N
XLogP6.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
CID 157497488
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-cyclohexylbenzene-1,2-diol;4-phenylbenzene-1,2-diol;zirconium
CID 23558306
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
3-(3-tert-butyl-4-hydroxyphenyl)cyclohexan-1-one
CID 141374657
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
4-cyclodecyl-2-methylphenol
CID 153407623
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
4-cyclododecyl-2-fluorophenol
CID 146306960

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-cyclohexylphenyl)phenol?
The IUPAC name of 2-tert-butyl-4-(4-cyclohexylphenyl)phenol (CID 19694694) is 2-tert-butyl-4-(4-cyclohexylphenyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(4-cyclohexylphenyl)phenol?
The canonical SMILES for 2-tert-butyl-4-(4-cyclohexylphenyl)phenol is CC(C)(C)c1cc(-c2ccc(C3CCCCC3)cc2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(4-cyclohexylphenyl)phenol?
The InChIKey is ISJIPHYVSYLOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-22(2,3)20-15-19(13-14-21(20)23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h9-16,23H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-cyclohexylphenyl)phenol?
2-tert-butyl-4-(4-cyclohexylphenyl)phenol has a molecular weight of 308.47 g/mol, XLogP of 6.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-cyclohexylphenyl)phenol is sourced from PubChem (CID 19694694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).