2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol

C26H38O2 — CID 138634849

IUPAC2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol
SMILESCC(C)(C)c1ccc(CCc2cc(O)c(C(C)(C)C)cc2C(C)(C)C)cc1O
InChIInChI=1S/C26H38O2/c1-24(2,3)19-13-11-17(14-22(19)27)10-12-18-15-23(28)21(26(7,8)9)16-20(18)25(4,5)6/h11,13-16,27-28H,10,12H2,1-9H3
InChIKeyFNNCOQZKWVXLMQ-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.78
Rot. Bonds3

About 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol

2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol (PubChem CID 138634849) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol
PubChem CID138634849
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol
SMILESCC(C)(C)c1ccc(CCc2cc(O)c(C(C)(C)C)cc2C(C)(C)C)cc1O
InChIInChI=1S/C26H38O2/c1-24(2,3)19-13-11-17(14-22(19)27)10-12-18-15-23(28)21(26(7,8)9)16-20(18)25(4,5)6/h11,13-16,27-28H,10,12H2,1-9H3
InChIKeyFNNCOQZKWVXLMQ-UHFFFAOYSA-N
XLogP6.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-[2-(3-tert-butyl-4,5-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 102013342
4-[3,3-bis(2,5-ditert-butyl-4-hydroxyphenyl)butyl]-2,5-ditert-butylphenol
CID 139643650
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
2-tert-butyl-5-ethylbenzene-1,4-diol
CID 13097614
4,6-bis[2-(3,4-dihydroxyphenyl)ethyl]benzene-1,3-diol
CID 172870403
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
2-tert-butyl-4-pentylphenol
CID 19933254
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
2-tert-butyl-4-(3-methylsulfanylpropyl)phenol
CID 130368676
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
2-tert-butyl-5-[7-[3-[[6-[[3-[7-(4-tert-butyl-3-hydroxyphenyl)heptyl]thiiran-2-yl]methyl]-3,5-dipropyl-1,4-dithian-2-yl]methyl]thiiran-2-yl]heptyl]phenol
CID 162770700

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol (CID 138634849) is 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol is CC(C)(C)c1ccc(CCc2cc(O)c(C(C)(C)C)cc2C(C)(C)C)cc1O.
What is the InChIKey of 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol?
The InChIKey is FNNCOQZKWVXLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-24(2,3)19-13-11-17(14-22(19)27)10-12-18-15-23(28)21(26(7,8)9)16-20(18)25(4,5)6/h11,13-16,27-28H,10,12H2,1-9H3.
What are the key properties of 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol?
2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol has a molecular weight of 382.59 g/mol, XLogP of 6.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5-[2-(4-tert-butyl-3-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 138634849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).