4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol

C42H56O4 — CID 67945373

About 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol

4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol (PubChem CID 67945373) has the molecular formula C42H56O4 and a molecular weight of 624.91 g/mol. Its IUPAC name is 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol.

Molecular Properties

• Compound Name: 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
• PubChem CID: 67945373
• Molecular Formula: C42H56O4
• Molecular Weight: 624.91 g/mol
• Exact Mass: 624.42
• IUPAC Name: 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
• SMILES: CCc1cc(C(C)(C)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
• InChI: InChI=1S/C23H32O2.C19H24O2/c1-7-15-11-19(12-16(8-2)21(15)24)23(5,6)20-13-17(9-3)22(25)18(10-4)14-20;1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h11-14,24-25H,7-10H2,1-6H3;7-10,20-21H,1-6H3
• InChIKey: HAEWUJFDRBMBLB-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.91
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?

The IUPAC name of 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol (CID 67945373) is 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol.

What is the SMILES notation for 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?

The canonical SMILES for 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol is CCc1cc(C(C)(C)c2cc(CC)c(O)c(CC)c2)cc(CC)c1O.Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O.

What is the InChIKey of 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?

The InChIKey is HAEWUJFDRBMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2.C19H24O2/c1-7-15-11-19(12-16(8-2)21(15)24)23(5,6)20-13-17(9-3)22(25)18(10-4)14-20;1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h11-14,24-25H,7-10H2,1-6H3;7-10,20-21H,1-6H3.

What are the key properties of 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol?

4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol has a molecular weight of 624.91 g/mol, XLogP of 10.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 67945373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).