2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol

C22H38O — CID 154329920

IUPAC2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
SMILESCCCCCCc1cc(CCCC)c(O)c(C(C)(C)CCC)c1
InChIInChI=1S/C22H38O/c1-6-9-11-12-13-18-16-19(14-10-7-2)21(23)20(17-18)22(4,5)15-8-3/h16-17,23H,6-15H2,1-5H3
InChIKeyIDCUYJDNZGQTEL-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.94
Rot. Bonds11

About 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol

2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol (PubChem CID 154329920) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
PubChem CID154329920
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol
SMILESCCCCCCc1cc(CCCC)c(O)c(C(C)(C)CCC)c1
InChIInChI=1S/C22H38O/c1-6-9-11-12-13-18-16-19(14-10-7-2)21(23)20(17-18)22(4,5)15-8-3/h16-17,23H,6-15H2,1-5H3
InChIKeyIDCUYJDNZGQTEL-UHFFFAOYSA-N
XLogP6.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.94
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

4-butyl-2,6-didodecylphenol
CID 66619638
2,4,6-triheptylphenol
CID 139692303
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-[[2-hydroxy-5-(5-hydroxypentyl)-3-(2-methylbutan-2-yl)phenyl]methyl]-4-(5-hydroxypentyl)-6-(2-methylbutan-2-yl)phenol
CID 58863005
4-butyl-2,6-ditert-butylphenol
CID 158079570
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol?
The IUPAC name of 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol (CID 154329920) is 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol.
What is the SMILES notation for 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol?
The canonical SMILES for 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol is CCCCCCc1cc(CCCC)c(O)c(C(C)(C)CCC)c1.
What is the InChIKey of 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol?
The InChIKey is IDCUYJDNZGQTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-6-9-11-12-13-18-16-19(14-10-7-2)21(23)20(17-18)22(4,5)15-8-3/h16-17,23H,6-15H2,1-5H3.
What are the key properties of 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol?
2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol has a molecular weight of 318.55 g/mol, XLogP of 6.94, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hexyl-6-(2-methylpentan-2-yl)phenol is sourced from PubChem (CID 154329920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).