2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol

C26H40O3 — CID 163490839

IUPAC2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
SMILESCOc1ccc(O)c(C(C)(C)C)c1.Cc1cc(CC(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.C11H16O2/c1-10(2)7-12-8-11(3)9-13(14(12)16)15(4,5)6;1-11(2,3)9-7-8(13-4)5-6-10(9)12/h8-10,16H,7H2,1-6H3;5-7,12H,1-4H3
InChIKeyCMMFBSGPFHAALC-UHFFFAOYSA-N
MW400.60 g/mol
LogP6.89
Rot. Bonds3

About 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol

2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol (PubChem CID 163490839) has the molecular formula C26H40O3 and a molecular weight of 400.60 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
PubChem CID163490839
Molecular FormulaC26H40O3
Molecular Weight400.60 g/mol
Exact Mass400.30
IUPAC Name2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
SMILESCOc1ccc(O)c(C(C)(C)C)c1.Cc1cc(CC(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H24O.C11H16O2/c1-10(2)7-12-8-11(3)9-13(14(12)16)15(4,5)6;1-11(2,3)9-7-8(13-4)5-6-10(9)12/h8-10,16H,7H2,1-6H3;5-7,12H,1-4H3
InChIKeyCMMFBSGPFHAALC-UHFFFAOYSA-N
XLogP6.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.60
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2-tert-butylbenzene-1,4-diol;2,5-ditert-butylbenzene-1,4-diol;2,6-ditert-butyl-4-methylphenol;4-methoxyphenol;2-methylbenzene-1,4-diol
CID 158247324
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322
2-tert-butyl-4-methoxy-6-[2-(methylamino)ethyl]phenol
CID 117347697
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
2,6-ditert-butyl-4-methoxyphenol
CID 10269
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol?
The IUPAC name of 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol (CID 163490839) is 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol?
The canonical SMILES for 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol is COc1ccc(O)c(C(C)(C)C)c1.Cc1cc(CC(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol?
The InChIKey is CMMFBSGPFHAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C11H16O2/c1-10(2)7-12-8-11(3)9-13(14(12)16)15(4,5)6;1-11(2,3)9-7-8(13-4)5-6-10(9)12/h8-10,16H,7H2,1-6H3;5-7,12H,1-4H3.
What are the key properties of 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol?
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol has a molecular weight of 400.60 g/mol, XLogP of 6.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol is sourced from PubChem (CID 163490839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).