4-butyl-2,6-didodecylphenol

C34H62O — CID 66619638

IUPAC4-butyl-2,6-didodecylphenol
SMILESCCCCCCCCCCCCc1cc(CCCC)cc(CCCCCCCCCCCC)c1O
InChIInChI=1S/C34H62O/c1-4-7-10-12-14-16-18-20-22-24-27-32-29-31(26-9-6-3)30-33(34(32)35)28-25-23-21-19-17-15-13-11-8-5-2/h29-30,35H,4-28H2,1-3H3
InChIKeyMMIYXSZBPXFOPU-UHFFFAOYSA-N
MW486.87 g/mol
LogP11.66
Rot. Bonds25

About 4-butyl-2,6-didodecylphenol

4-butyl-2,6-didodecylphenol (PubChem CID 66619638) has the molecular formula C34H62O and a molecular weight of 486.87 g/mol. Its IUPAC name is 4-butyl-2,6-didodecylphenol.

Molecular Properties

Compound Name4-butyl-2,6-didodecylphenol
PubChem CID66619638
Molecular FormulaC34H62O
Molecular Weight486.87 g/mol
Exact Mass486.48
IUPAC Name4-butyl-2,6-didodecylphenol
SMILESCCCCCCCCCCCCc1cc(CCCC)cc(CCCCCCCCCCCC)c1O
InChIInChI=1S/C34H62O/c1-4-7-10-12-14-16-18-20-22-24-27-32-29-31(26-9-6-3)30-33(34(32)35)28-25-23-21-19-17-15-13-11-8-5-2/h29-30,35H,4-28H2,1-3H3
InChIKeyMMIYXSZBPXFOPU-UHFFFAOYSA-N
XLogP11.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.87
LogP ≤ 511.66
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

2,4,6-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
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
2-(methylaminomethyl)-4,6-di(nonyl)phenol
CID 23346792
2,6-diethyl-4-pentylphenol
CID 66879488
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,6-didodecylphenol?
The IUPAC name of 4-butyl-2,6-didodecylphenol (CID 66619638) is 4-butyl-2,6-didodecylphenol.
What is the SMILES notation for 4-butyl-2,6-didodecylphenol?
The canonical SMILES for 4-butyl-2,6-didodecylphenol is CCCCCCCCCCCCc1cc(CCCC)cc(CCCCCCCCCCCC)c1O.
What is the InChIKey of 4-butyl-2,6-didodecylphenol?
The InChIKey is MMIYXSZBPXFOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62O/c1-4-7-10-12-14-16-18-20-22-24-27-32-29-31(26-9-6-3)30-33(34(32)35)28-25-23-21-19-17-15-13-11-8-5-2/h29-30,35H,4-28H2,1-3H3.
What are the key properties of 4-butyl-2,6-didodecylphenol?
4-butyl-2,6-didodecylphenol has a molecular weight of 486.87 g/mol, XLogP of 11.66, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,6-didodecylphenol is sourced from PubChem (CID 66619638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).