2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol

C31H49NO2 — CID 102041593

IUPAC2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
SMILESCCCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C31H49NO2/c1-14-15-32(24-18-20(28(2,3)4)16-22(26(24)33)30(8,9)10)25-19-21(29(5,6)7)17-23(27(25)34)31(11,12)13/h16-19,33-34H,14-15H2,1-13H3
InChIKeyDWDRCRVUBLNVJA-UHFFFAOYSA-N
MW467.74 g/mol
LogP8.84
Rot. Bonds4

About 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol

2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol (PubChem CID 102041593) has the molecular formula C31H49NO2 and a molecular weight of 467.74 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
PubChem CID102041593
Molecular FormulaC31H49NO2
Molecular Weight467.74 g/mol
Exact Mass467.38
IUPAC Name2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
SMILESCCCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C31H49NO2/c1-14-15-32(24-18-20(28(2,3)4)16-22(26(24)33)30(8,9)10)25-19-21(29(5,6)7)17-23(27(25)34)31(11,12)13/h16-19,33-34H,14-15H2,1-13H3
InChIKeyDWDRCRVUBLNVJA-UHFFFAOYSA-N
XLogP8.84
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
CID 70700395
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-hydroxy-N-(2-methoxyethyl)anilino]phenol
CID 102041591
2,4-ditert-butyl-6-(diethylamino)phenol
CID 90717515
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
CID 135046337
CID 135046337
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(dipropylamino)ethanone
CID 2187630
2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol
CID 141133723
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2,6-ditert-butyl-4-[tris(octylsulfanyl)methyl]phenol
CID 10941338
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-3-yl]phenol
CID 139825092

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol (CID 102041593) is 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol is CCCN(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol?
The InChIKey is DWDRCRVUBLNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO2/c1-14-15-32(24-18-20(28(2,3)4)16-22(26(24)33)30(8,9)10)25-19-21(29(5,6)7)17-23(27(25)34)31(11,12)13/h16-19,33-34H,14-15H2,1-13H3.
What are the key properties of 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol?
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol has a molecular weight of 467.74 g/mol, XLogP of 8.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol is sourced from PubChem (CID 102041593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).