2-butyl-6-ethyl-4-pentylphenol

C17H28O — CID 66879170

IUPAC2-butyl-6-ethyl-4-pentylphenol
SMILESCCCCCc1cc(CC)c(O)c(CCCC)c1
InChIInChI=1S/C17H28O/c1-4-7-9-10-14-12-15(6-3)17(18)16(13-14)11-8-5-2/h12-13,18H,4-11H2,1-3H3
InChIKeyZEYZGXBEQKTVGJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.03
Rot. Bonds8

About 2-butyl-6-ethyl-4-pentylphenol

2-butyl-6-ethyl-4-pentylphenol (PubChem CID 66879170) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-butyl-6-ethyl-4-pentylphenol.

Molecular Properties

Compound Name2-butyl-6-ethyl-4-pentylphenol
PubChem CID66879170
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-butyl-6-ethyl-4-pentylphenol
SMILESCCCCCc1cc(CC)c(O)c(CCCC)c1
InChIInChI=1S/C17H28O/c1-4-7-9-10-14-12-15(6-3)17(18)16(13-14)11-8-5-2/h12-13,18H,4-11H2,1-3H3
InChIKeyZEYZGXBEQKTVGJ-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.03
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-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2,6-diethyl-4-pentylphenol
CID 66879488
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2,4,6-triheptylphenol
CID 139692303
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
2-(aminomethyl)-4,6-dibutylphenol
CID 167065415
2-butyl-4-ethyl-6-propylphenol
CID 66988794
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
2-(methylaminomethyl)-4,6-di(nonyl)phenol
CID 23346792

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-ethyl-4-pentylphenol?
The IUPAC name of 2-butyl-6-ethyl-4-pentylphenol (CID 66879170) is 2-butyl-6-ethyl-4-pentylphenol.
What is the SMILES notation for 2-butyl-6-ethyl-4-pentylphenol?
The canonical SMILES for 2-butyl-6-ethyl-4-pentylphenol is CCCCCc1cc(CC)c(O)c(CCCC)c1.
What is the InChIKey of 2-butyl-6-ethyl-4-pentylphenol?
The InChIKey is ZEYZGXBEQKTVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-4-7-9-10-14-12-15(6-3)17(18)16(13-14)11-8-5-2/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 2-butyl-6-ethyl-4-pentylphenol?
2-butyl-6-ethyl-4-pentylphenol has a molecular weight of 248.41 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-ethyl-4-pentylphenol is sourced from PubChem (CID 66879170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).