2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol

C19H27N3O — CID 87457506

IUPAC2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol
SMILESCC(C)(C)c1cc(CCc2ncncn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H27N3O/c1-18(2,3)14-9-13(7-8-16-21-11-20-12-22-16)10-15(17(14)23)19(4,5)6/h9-12,23H,7-8H2,1-6H3
InChIKeyBSLRFTNGOLYNQH-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.96
Rot. Bonds3

About 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol

2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol (PubChem CID 87457506) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol
PubChem CID87457506
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol
SMILESCC(C)(C)c1cc(CCc2ncncn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H27N3O/c1-18(2,3)14-9-13(7-8-16-21-11-20-12-22-16)10-15(17(14)23)19(4,5)6/h9-12,23H,7-8H2,1-6H3
InChIKeyBSLRFTNGOLYNQH-UHFFFAOYSA-N
XLogP3.96
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6E)-2,4-ditert-butyl-6-(4,6-diamino-1H-s-triazin-2-ylidene)cyclohexa-2,4-dien-1-one
CID 135953403
4-[2-[4,6-Bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-1,3,5-triazin-2-yl]ethyl]-2,6-ditert-butylphenol
CID 327807
4-[2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)ethyl]-2,6-ditert-butylphenol
CID 13864562
4-[2-(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethyl]-2,6-ditert-butylphenol
CID 13864568
4-[[4,6-Bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-2,6-ditert-butylphenol
CID 13542959
2,6-Ditert-butyl-4-[1-(1,3,5-triazin-2-yl)ethyl]phenol
CID 17854728
4-[2-[4,6-Bis[2-(3,5-dibutyl-4-hydroxyphenyl)ethyl]-1,3,5-triazin-2-yl]ethyl]-2,6-dibutylphenol
CID 19892386
2,6-Ditert-butyl-4-[1-[4-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-1,3,5-triazin-2-yl]ethyl]phenol
CID 19920810
2,6-Ditert-butyl-4-(1,3,5-triazin-2-ylmethyl)phenol
CID 20448580
4-[1-[4,6-Bis[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-1,3,5-triazin-2-yl]ethyl]-2,6-ditert-butylphenol
CID 21885036
4-[1-[4,6-Bis[1-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentyl]-1,3,5-triazin-2-yl]-4,4-dimethylpentyl]-2-tert-butylphenol
CID 23513072
4-[1,1-Bis(4-hydroxyphenyl)-1-(1,3,5-triazin-2-yl)pentan-2-yl]phenol
CID 23514228

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol (CID 87457506) is 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol is CC(C)(C)c1cc(CCc2ncncn2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol?
The InChIKey is BSLRFTNGOLYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-18(2,3)14-9-13(7-8-16-21-11-20-12-22-16)10-15(17(14)23)19(4,5)6/h9-12,23H,7-8H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol?
2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol has a molecular weight of 313.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(1,3,5-triazin-2-yl)ethyl]phenol is sourced from PubChem (CID 87457506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).