2,6-di(butan-2-yl)phenol

C14H22O — CID 21685

IUPAC2,6-di(butan-2-yl)phenol
SMILESCCC(C)c1cccc(C(C)CC)c1O
InChIInChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3
InChIKeyFHTGJZOULSYEOB-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.42
Rot. Bonds4

About 2,6-di(butan-2-yl)phenol

2,6-di(butan-2-yl)phenol (PubChem CID 21685) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,6-di(butan-2-yl)phenol.

Molecular Properties

Compound Name2,6-di(butan-2-yl)phenol
PubChem CID21685
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,6-di(butan-2-yl)phenol
SMILESCCC(C)c1cccc(C(C)CC)c1O
InChIInChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3
InChIKeyFHTGJZOULSYEOB-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 2,6-di(butan-2-yl)phenol?
The IUPAC name of 2,6-di(butan-2-yl)phenol (CID 21685) is 2,6-di(butan-2-yl)phenol.
What is the SMILES notation for 2,6-di(butan-2-yl)phenol?
The canonical SMILES for 2,6-di(butan-2-yl)phenol is CCC(C)c1cccc(C(C)CC)c1O.
What is the InChIKey of 2,6-di(butan-2-yl)phenol?
The InChIKey is FHTGJZOULSYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 2,6-di(butan-2-yl)phenol?
2,6-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 2,6-di(butan-2-yl)phenol is sourced from PubChem (CID 21685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).