2,3-ditert-butyl-4-cyclohexylphenol

C20H32O — CID 175031880

IUPAC2,3-ditert-butyl-4-cyclohexylphenol
SMILESCC(C)(C)c1c(O)ccc(C2CCCCC2)c1C(C)(C)C
InChIInChI=1S/C20H32O/c1-19(2,3)17-15(14-10-8-7-9-11-14)12-13-16(21)18(17)20(4,5)6/h12-14,21H,7-11H2,1-6H3
InChIKeyXBEPRTGAYXEBEZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.03
Rot. Bonds1

About 2,3-ditert-butyl-4-cyclohexylphenol

2,3-ditert-butyl-4-cyclohexylphenol (PubChem CID 175031880) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,3-ditert-butyl-4-cyclohexylphenol.

Molecular Properties

Compound Name2,3-ditert-butyl-4-cyclohexylphenol
PubChem CID175031880
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2,3-ditert-butyl-4-cyclohexylphenol
SMILESCC(C)(C)c1c(O)ccc(C2CCCCC2)c1C(C)(C)C
InChIInChI=1S/C20H32O/c1-19(2,3)17-15(14-10-8-7-9-11-14)12-13-16(21)18(17)20(4,5)6/h12-14,21H,7-11H2,1-6H3
InChIKeyXBEPRTGAYXEBEZ-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-3-cyclohexyl-6-propan-2-ylphenol
CID 23325923
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
4-cyclohexyl-2,3-difluorophenol
CID 134218235
2-cycloheptyl-5-methylphenol
CID 45096882
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol
CID 139978952
2-cyclododecylphenol
CID 22381643
2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
1-tert-butyl-2-cyclohexylindolizine
CID 58787383
3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol
CID 22465222
2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
CID 22643834
2,5-di(cyclononyl)phenol
CID 57426125
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-4-cyclohexylphenol?
The IUPAC name of 2,3-ditert-butyl-4-cyclohexylphenol (CID 175031880) is 2,3-ditert-butyl-4-cyclohexylphenol.
What is the SMILES notation for 2,3-ditert-butyl-4-cyclohexylphenol?
The canonical SMILES for 2,3-ditert-butyl-4-cyclohexylphenol is CC(C)(C)c1c(O)ccc(C2CCCCC2)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-4-cyclohexylphenol?
The InChIKey is XBEPRTGAYXEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-19(2,3)17-15(14-10-8-7-9-11-14)12-13-16(21)18(17)20(4,5)6/h12-14,21H,7-11H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-4-cyclohexylphenol?
2,3-ditert-butyl-4-cyclohexylphenol has a molecular weight of 288.48 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-4-cyclohexylphenol is sourced from PubChem (CID 175031880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).