2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol

C16H26O — CID 58510517

IUPAC2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)C(C)C
InChIInChI=1S/C16H26O/c1-10(2)12(4)13-9-14(16(5,6)7)15(17)8-11(13)3/h8-10,12,17H,1-7H3
InChIKeyXIMDRKGEUVKOOE-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.76
Rot. Bonds2

About 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol

2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol (PubChem CID 58510517) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
PubChem CID58510517
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)C(C)C
InChIInChI=1S/C16H26O/c1-10(2)12(4)13-9-14(16(5,6)7)15(17)8-11(13)3/h8-10,12,17H,1-7H3
InChIKeyXIMDRKGEUVKOOE-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
CID 162123967
2,4-ditert-butyl-5-methylphenol
CID 10346
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
4-[1,3-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-2,5-dimethylphenol;propane
CID 158091372
4-[4,4-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-tert-butyl-5-methylphenol;prop-1-ene
CID 174857958
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)pent-4-enyl]-5-methylphenol
CID 172722860
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol?
The IUPAC name of 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol (CID 58510517) is 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol?
The canonical SMILES for 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol is Cc1cc(O)c(C(C)(C)C)cc1C(C)C(C)C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol?
The InChIKey is XIMDRKGEUVKOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-10(2)12(4)13-9-14(16(5,6)7)15(17)8-11(13)3/h8-10,12,17H,1-7H3.
What are the key properties of 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol?
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol is sourced from PubChem (CID 58510517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).