3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol

C26H38O2 — CID 173287928

IUPAC3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol
SMILESCCCC(Cc1ccc(O)cc1C(C)(C)C)Cc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/C26H38O2/c1-8-9-18(14-19-10-12-21(27)16-23(19)25(2,3)4)15-20-11-13-22(28)17-24(20)26(5,6)7/h10-13,16-18,27-28H,8-9,14-15H2,1-7H3
InChIKeyYCPAIVGWAKTAGY-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.89
Rot. Bonds6

About 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol

3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol (PubChem CID 173287928) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol.

Molecular Properties

Compound Name3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol
PubChem CID173287928
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol
SMILESCCCC(Cc1ccc(O)cc1C(C)(C)C)Cc1ccc(O)cc1C(C)(C)C
InChIInChI=1S/C26H38O2/c1-8-9-18(14-19-10-12-21(27)16-23(19)25(2,3)4)15-20-11-13-22(28)17-24(20)26(5,6)7/h10-13,16-18,27-28H,8-9,14-15H2,1-7H3
InChIKeyYCPAIVGWAKTAGY-UHFFFAOYSA-N
XLogP6.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
3-(2-tert-butyl-4-hydroxyphenyl)propanoate
CID 19073929
3-(2-tert-butyl-4-hydroxyphenyl)propanoyl chloride
CID 175601429
3-tert-butyl-4-methylphenol
CID 13130216
4-(2-ethyl-4-methyl-4-methylsulfanylpentyl)benzene-1,3-diol
CID 143290771
2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
CID 23019019
4-aminosulfanyl-3-tert-butylphenol
CID 141059626
4-[2-[3-[2-(4-hydroxy-2-propylphenyl)propan-2-yl]phenyl]propan-2-yl]-3-propylphenol
CID 19356772
4-[2-(4-hydroxy-2-prop-2-enylphenyl)propan-2-yl]-3-prop-2-enylphenol
CID 11370277
8,8-diamino-4-methyloctan-3-one;3,4-ditert-butylphenol
CID 174649569
1-(2-tert-butyl-4-hydroxyphenyl)butane-1,3-diol
CID 123773896
3,5-ditert-butyl-4-ethylphenol
CID 54064796

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol?
The IUPAC name of 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol (CID 173287928) is 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol.
What is the SMILES notation for 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol?
The canonical SMILES for 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol is CCCC(Cc1ccc(O)cc1C(C)(C)C)Cc1ccc(O)cc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol?
The InChIKey is YCPAIVGWAKTAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-8-9-18(14-19-10-12-21(27)16-23(19)25(2,3)4)15-20-11-13-22(28)17-24(20)26(5,6)7/h10-13,16-18,27-28H,8-9,14-15H2,1-7H3.
What are the key properties of 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol?
3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol has a molecular weight of 382.59 g/mol, XLogP of 6.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol is sourced from PubChem (CID 173287928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).