2-tert-butyl-3-(4-ethylhexyl)phenol

C18H30O — CID 141255133

IUPAC2-tert-butyl-3-(4-ethylhexyl)phenol
SMILESCCC(CC)CCCc1cccc(O)c1C(C)(C)C
InChIInChI=1S/C18H30O/c1-6-14(7-2)10-8-11-15-12-9-13-16(19)17(15)18(3,4)5/h9,12-14,19H,6-8,10-11H2,1-5H3
InChIKeyBEPBUSOFJPQXRP-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.45
Rot. Bonds6

About 2-tert-butyl-3-(4-ethylhexyl)phenol

2-tert-butyl-3-(4-ethylhexyl)phenol (PubChem CID 141255133) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-tert-butyl-3-(4-ethylhexyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-3-(4-ethylhexyl)phenol
PubChem CID141255133
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-tert-butyl-3-(4-ethylhexyl)phenol
SMILESCCC(CC)CCCc1cccc(O)c1C(C)(C)C
InChIInChI=1S/C18H30O/c1-6-14(7-2)10-8-11-15-12-9-13-16(19)17(15)18(3,4)5/h9,12-14,19H,6-8,10-11H2,1-5H3
InChIKeyBEPBUSOFJPQXRP-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-3-nonylphenol
CID 150872346
1,2-ditert-butyl-3-(3-methylpentyl)benzene
CID 161124006
2,3-ditert-butyl-4-heptylphenol
CID 141294760
3-benzyl-2-tert-butylphenol
CID 154096643
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
3-(6-ethyloctyl)phthalic acid
CID 175548191
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
2-methyl-3-(4-methylpentyl)phenol
CID 154091292
2-[1-(2-hydroxy-6-pentylphenyl)-2,2-dimethylpropyl]-3-pentylphenol
CID 175303430
2-(4-fluorooctyl)phenol
CID 70022648
2,3-ditert-butyl-4-ethylphenol
CID 18994457
2,6-ditert-butyl-3-[4-(2,4-ditert-butyl-3-hydroxyphenyl)butyl]phenol
CID 141434807

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(4-ethylhexyl)phenol?
The IUPAC name of 2-tert-butyl-3-(4-ethylhexyl)phenol (CID 141255133) is 2-tert-butyl-3-(4-ethylhexyl)phenol.
What is the SMILES notation for 2-tert-butyl-3-(4-ethylhexyl)phenol?
The canonical SMILES for 2-tert-butyl-3-(4-ethylhexyl)phenol is CCC(CC)CCCc1cccc(O)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(4-ethylhexyl)phenol?
The InChIKey is BEPBUSOFJPQXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-6-14(7-2)10-8-11-15-12-9-13-16(19)17(15)18(3,4)5/h9,12-14,19H,6-8,10-11H2,1-5H3.
What are the key properties of 2-tert-butyl-3-(4-ethylhexyl)phenol?
2-tert-butyl-3-(4-ethylhexyl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(4-ethylhexyl)phenol is sourced from PubChem (CID 141255133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).