2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol

C31H52O — CID 121442924

IUPAC2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol
SMILESCCCC1CCC(C2CCC(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CC1
InChIInChI=1S/C31H52O/c1-8-9-22-12-16-25(17-13-22)26-18-14-23(15-19-26)10-11-24-20-27(30(2,3)4)29(32)28(21-24)31(5,6)7/h20-23,25-26,32H,8-19H2,1-7H3
InChIKeyXXDCDCFDUFCUIC-UHFFFAOYSA-N
MW440.76 g/mol
LogP9.33
Rot. Bonds6

About 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol

2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol (PubChem CID 121442924) has the molecular formula C31H52O and a molecular weight of 440.76 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol
PubChem CID121442924
Molecular FormulaC31H52O
Molecular Weight440.76 g/mol
Exact Mass440.40
IUPAC Name2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol
SMILESCCCC1CCC(C2CCC(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CC1
InChIInChI=1S/C31H52O/c1-8-9-22-12-16-25(17-13-22)26-18-14-23(15-19-26)10-11-24-20-27(30(2,3)4)29(32)28(21-24)31(5,6)7/h20-23,25-26,32H,8-19H2,1-7H3
InChIKeyXXDCDCFDUFCUIC-UHFFFAOYSA-N
XLogP9.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 59.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-2,6-ditert-butylphenol
CID 158079570
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
2,6-ditert-butyl-4-[3-[(4-methylcyclohexyl)methylamino]propyl]phenol
CID 142231486
CID 164702720
CID 164702720
2-tert-butyl-4-[2-[3-[2-[3-tert-butyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-6-(2-methylbutan-2-yl)phenol
CID 139762573
2,6-ditert-butyl-4-propylphenol;methyl formate
CID 145003703
3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
2,6-ditert-butyl-4-[2-[5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)cyclohexyl]oxan-2-yl]ethyl]phenol;2,6-ditert-butyl-3-[2-[4-[5-(2,2,6,6-tetramethylpiperidin-4-yl)oxan-2-yl]cyclohexyl]ethyl]phenol
CID 158119277
2,6-ditert-butyl-4-(3-hydroxypentyl)phenol
CID 21395972
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol (CID 121442924) is 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol is CCCC1CCC(C2CCC(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CC1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol?
The InChIKey is XXDCDCFDUFCUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H52O/c1-8-9-22-12-16-25(17-13-22)26-18-14-23(15-19-26)10-11-24-20-27(30(2,3)4)29(32)28(21-24)31(5,6)7/h20-23,25-26,32H,8-19H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol?
2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol has a molecular weight of 440.76 g/mol, XLogP of 9.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenol is sourced from PubChem (CID 121442924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).