2-tert-butyl-4-methyl-6-pentylphenol

C16H26O — CID 58210348

IUPAC2-tert-butyl-4-methyl-6-pentylphenol
SMILESCCCCCc1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26O/c1-6-7-8-9-13-10-12(2)11-14(15(13)17)16(3,4)5/h10-11,17H,6-9H2,1-5H3
InChIKeyJHVNWDDWMRGHII-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.73
Rot. Bonds4

About 2-tert-butyl-4-methyl-6-pentylphenol

2-tert-butyl-4-methyl-6-pentylphenol (PubChem CID 58210348) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-pentylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-pentylphenol
PubChem CID58210348
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-tert-butyl-4-methyl-6-pentylphenol
SMILESCCCCCc1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26O/c1-6-7-8-9-13-10-12(2)11-14(15(13)17)16(3,4)5/h10-11,17H,6-9H2,1-5H3
InChIKeyJHVNWDDWMRGHII-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
CID 20661068
6-tert-butyl-3-methyl-2,4-dioctylphenol
CID 139902763
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol
CID 141168167
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-pentadecylphenol
CID 151192860
2-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol
CID 22325373

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-pentylphenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-pentylphenol (CID 58210348) is 2-tert-butyl-4-methyl-6-pentylphenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-pentylphenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-pentylphenol is CCCCCc1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-methyl-6-pentylphenol?
The InChIKey is JHVNWDDWMRGHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-7-8-9-13-10-12(2)11-14(15(13)17)16(3,4)5/h10-11,17H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-4-methyl-6-pentylphenol?
2-tert-butyl-4-methyl-6-pentylphenol has a molecular weight of 234.38 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-pentylphenol is sourced from PubChem (CID 58210348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).