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

C20H29N3O — CID 87483105

IUPAC2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol
SMILESCC(C)(C)c1cc(CCCc2ncncn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H29N3O/c1-19(2,3)15-10-14(11-16(18(15)24)20(4,5)6)8-7-9-17-22-12-21-13-23-17/h10-13,24H,7-9H2,1-6H3
InChIKeyZFVKKPZGACXBTF-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.35
Rot. Bonds4

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

2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol (PubChem CID 87483105) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol
PubChem CID87483105
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol
SMILESCC(C)(C)c1cc(CCCc2ncncn2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H29N3O/c1-19(2,3)15-10-14(11-16(18(15)24)20(4,5)6)8-7-9-17-22-12-21-13-23-17/h10-13,24H,7-9H2,1-6H3
InChIKeyZFVKKPZGACXBTF-UHFFFAOYSA-N
XLogP4.35
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol (CID 87483105) is 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol is CC(C)(C)c1cc(CCCc2ncncn2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol?
The InChIKey is ZFVKKPZGACXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-19(2,3)15-10-14(11-16(18(15)24)20(4,5)6)8-7-9-17-22-12-21-13-23-17/h10-13,24H,7-9H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol?
2,6-ditert-butyl-4-[3-(1,3,5-triazin-2-yl)propyl]phenol has a molecular weight of 327.47 g/mol, XLogP of 4.35, 4 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-[3-(1,3,5-triazin-2-yl)propyl]phenol is sourced from PubChem (CID 87483105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).