2,6-di(butan-2-yl)-4-butylphenol

C18H30O — CID 66619822

IUPAC2,6-di(butan-2-yl)-4-butylphenol
SMILESCCCCc1cc(C(C)CC)c(O)c(C(C)CC)c1
InChIInChI=1S/C18H30O/c1-6-9-10-15-11-16(13(4)7-2)18(19)17(12-15)14(5)8-3/h11-14,19H,6-10H2,1-5H3
InChIKeySYUFLZQUFXMVPR-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.76
Rot. Bonds7

About 2,6-di(butan-2-yl)-4-butylphenol

2,6-di(butan-2-yl)-4-butylphenol (PubChem CID 66619822) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,6-di(butan-2-yl)-4-butylphenol.

Molecular Properties

Compound Name2,6-di(butan-2-yl)-4-butylphenol
PubChem CID66619822
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,6-di(butan-2-yl)-4-butylphenol
SMILESCCCCc1cc(C(C)CC)c(O)c(C(C)CC)c1
InChIInChI=1S/C18H30O/c1-6-9-10-15-11-16(13(4)7-2)18(19)17(12-15)14(5)8-3/h11-14,19H,6-10H2,1-5H3
InChIKeySYUFLZQUFXMVPR-UHFFFAOYSA-N
XLogP5.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(butan-2-yl)-4-butylphenol?
The IUPAC name of 2,6-di(butan-2-yl)-4-butylphenol (CID 66619822) is 2,6-di(butan-2-yl)-4-butylphenol.
What is the SMILES notation for 2,6-di(butan-2-yl)-4-butylphenol?
The canonical SMILES for 2,6-di(butan-2-yl)-4-butylphenol is CCCCc1cc(C(C)CC)c(O)c(C(C)CC)c1.
What is the InChIKey of 2,6-di(butan-2-yl)-4-butylphenol?
The InChIKey is SYUFLZQUFXMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-6-9-10-15-11-16(13(4)7-2)18(19)17(12-15)14(5)8-3/h11-14,19H,6-10H2,1-5H3.
What are the key properties of 2,6-di(butan-2-yl)-4-butylphenol?
2,6-di(butan-2-yl)-4-butylphenol has a molecular weight of 262.44 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(butan-2-yl)-4-butylphenol is sourced from PubChem (CID 66619822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).