2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol

C23H32O3 — CID 166011841

IUPAC2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C23H32O3/c1-14-17(10-15(25-8)12-19(14)22(2,3)4)18-11-16(26-9)13-20(21(18)24)23(5,6)7/h10-13,24H,1-9H3
InChIKeyIXOKIVWTGTUONC-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.98
Rot. Bonds3

About 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol

2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol (PubChem CID 166011841) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
PubChem CID166011841
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C23H32O3/c1-14-17(10-15(25-8)12-19(14)22(2,3)4)18-11-16(26-9)13-20(21(18)24)23(5,6)7/h10-13,24H,1-9H3
InChIKeyIXOKIVWTGTUONC-UHFFFAOYSA-N
XLogP5.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-tert-butyl-6-(2-hydroxyphenyl)-4-methoxyphenol
CID 139908520
5-[[3-(3-tert-butyl-2,5-dihydroxyphenyl)-2-hydroxy-5-methoxyphenyl]methyl]-2,3-dimethylbenzene-1,4-diol
CID 156563736
tert-butyl [2-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-6-[5-[3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-2-hydroxy-5-methoxyphenyl]-2,5-dimethylhexan-2-yl]-4-methoxyphenyl] carbonate
CID 134331391
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
[2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenyl] 2,5,5-trimethylhexan-2-yl carbonate
CID 123929185
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
cyclopenta-1,3-diene;2,6-ditert-butyl-4-methoxyphenol;titanium;dibromide
CID 22314626
2-tert-butyl-4-methoxy-6-[(methoxyamino)methyl]phenol
CID 117351450
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
CID 117351397
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
CID 117347697

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol?
The IUPAC name of 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol (CID 166011841) is 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol.
What is the SMILES notation for 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol?
The canonical SMILES for 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2O)c(C)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol?
The InChIKey is IXOKIVWTGTUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-14-17(10-15(25-8)12-19(14)22(2,3)4)18-11-16(26-9)13-20(21(18)24)23(5,6)7/h10-13,24H,1-9H3.
What are the key properties of 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol?
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol has a molecular weight of 356.51 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol is sourced from PubChem (CID 166011841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).