2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol

C26H34O2 — CID 139930956

IUPAC2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
SMILESCC(C)(C)c1cc(C2=CCC(c3ccc(O)cc3)CC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H34O2/c1-25(2,3)22-15-20(16-23(24(22)28)26(4,5)6)19-9-7-17(8-10-19)18-11-13-21(27)14-12-18/h9,11-17,27-28H,7-8,10H2,1-6H3
InChIKeyPYGJYRJVYMUGFO-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.04
Rot. Bonds2

About 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol

2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol (PubChem CID 139930956) has the molecular formula C26H34O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
PubChem CID139930956
Molecular FormulaC26H34O2
Molecular Weight378.56 g/mol
Exact Mass378.26
IUPAC Name2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
SMILESCC(C)(C)c1cc(C2=CCC(c3ccc(O)cc3)CC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H34O2/c1-25(2,3)22-15-20(16-23(24(22)28)26(4,5)6)19-9-7-17(8-10-19)18-11-13-21(27)14-12-18/h9,11-17,27-28H,7-8,10H2,1-6H3
InChIKeyPYGJYRJVYMUGFO-UHFFFAOYSA-N
XLogP7.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 22508120
4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
CID 157497488
3-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 174738982
4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methylphenol
CID 22508069
4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]-2-methyl-6-phenylphenol
CID 141265705
2-hexyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 68964944
1-tert-butyl-4-(4-tert-butylcyclohex-3-en-1-yl)benzene
CID 59509523
2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol
CID 67512320
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxyphenyl)-4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139930954
2-tert-butyl-4-(4-cyclohexylphenyl)phenol
CID 19694694
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
2-[1-[4-[4-[4-[1-(oxiran-2-yl)ethoxy]phenyl]cyclohexen-1-yl]phenoxy]ethyl]oxirane
CID 87427174

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol (CID 139930956) is 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol is CC(C)(C)c1cc(C2=CCC(c3ccc(O)cc3)CC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
The InChIKey is PYGJYRJVYMUGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2/c1-25(2,3)22-15-20(16-23(24(22)28)26(4,5)6)19-9-7-17(8-10-19)18-11-13-21(27)14-12-18/h9,11-17,27-28H,7-8,10H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol?
2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol has a molecular weight of 378.56 g/mol, XLogP of 7.04, 2 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-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol is sourced from PubChem (CID 139930956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).