2,4-di(butan-2-yl)phenol

C14H22O — CID 15808

IUPAC2,4-di(butan-2-yl)phenol
SMILESCCC(C)c1ccc(O)c(C(C)CC)c1
InChIInChI=1S/C14H22O/c1-5-10(3)12-7-8-14(15)13(9-12)11(4)6-2/h7-11,15H,5-6H2,1-4H3
InChIKeyJERZAOOJWPHIDG-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.42
Rot. Bonds4

About 2,4-di(butan-2-yl)phenol

2,4-di(butan-2-yl)phenol (PubChem CID 15808) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,4-di(butan-2-yl)phenol.

Molecular Properties

Compound Name2,4-di(butan-2-yl)phenol
PubChem CID15808
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,4-di(butan-2-yl)phenol
SMILESCCC(C)c1ccc(O)c(C(C)CC)c1
InChIInChI=1S/C14H22O/c1-5-10(3)12-7-8-14(15)13(9-12)11(4)6-2/h7-11,15H,5-6H2,1-4H3
InChIKeyJERZAOOJWPHIDG-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(butan-2-yl)phenol?
The IUPAC name of 2,4-di(butan-2-yl)phenol (CID 15808) is 2,4-di(butan-2-yl)phenol.
What is the SMILES notation for 2,4-di(butan-2-yl)phenol?
The canonical SMILES for 2,4-di(butan-2-yl)phenol is CCC(C)c1ccc(O)c(C(C)CC)c1.
What is the InChIKey of 2,4-di(butan-2-yl)phenol?
The InChIKey is JERZAOOJWPHIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-10(3)12-7-8-14(15)13(9-12)11(4)6-2/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 2,4-di(butan-2-yl)phenol?
2,4-di(butan-2-yl)phenol has a molecular weight of 206.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(butan-2-yl)phenol is sourced from PubChem (CID 15808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).