2,4-bis(2-methylbutan-2-yl)phenol

C16H26O — CID 8455

IUPAC2,4-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1
InChIInChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChIKeyWMVJWKURWRGJCI-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.77
Rot. Bonds4

About 2,4-bis(2-methylbutan-2-yl)phenol

2,4-bis(2-methylbutan-2-yl)phenol (PubChem CID 8455) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,4-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2,4-bis(2-methylbutan-2-yl)phenol
PubChem CID8455
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2,4-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1
InChIInChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
InChIKeyWMVJWKURWRGJCI-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 2,4-bis(2-methylbutan-2-yl)phenol (CID 8455) is 2,4-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2,4-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2,4-bis(2-methylbutan-2-yl)phenol is CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2,4-bis(2-methylbutan-2-yl)phenol?
The InChIKey is WMVJWKURWRGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3.
What are the key properties of 2,4-bis(2-methylbutan-2-yl)phenol?
2,4-bis(2-methylbutan-2-yl)phenol has a molecular weight of 234.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 8455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).