2,6-bis(2-methylpentan-2-yl)phenol

C18H30O — CID 19809768

IUPAC2,6-bis(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cccc(C(C)(C)CCC)c1O
InChIInChI=1S/C18H30O/c1-7-12-17(3,4)14-10-9-11-15(16(14)19)18(5,6)13-8-2/h9-11,19H,7-8,12-13H2,1-6H3
InChIKeyKKLBGRKIXPIQKE-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.55
Rot. Bonds6

About 2,6-bis(2-methylpentan-2-yl)phenol

2,6-bis(2-methylpentan-2-yl)phenol (PubChem CID 19809768) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,6-bis(2-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name2,6-bis(2-methylpentan-2-yl)phenol
PubChem CID19809768
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,6-bis(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cccc(C(C)(C)CCC)c1O
InChIInChI=1S/C18H30O/c1-7-12-17(3,4)14-10-9-11-15(16(14)19)18(5,6)13-8-2/h9-11,19H,7-8,12-13H2,1-6H3
InChIKeyKKLBGRKIXPIQKE-UHFFFAOYSA-N
XLogP5.55
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 ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
CID 88886549
2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
CID 163862555
2,6-bis(5-propylnonan-5-yl)phenol
CID 174819612
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
CID 67612483
CID 67612483
1-(2-methylpentan-2-yl)phenanthrene
CID 154130631
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
bis[2,6-bis(2-methylpentan-2-yl)phenoxy]-fluorophosphane
CID 54553105
7-(2-methylpentan-2-yl)-1-benzofuran
CID 130310594
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylpentan-2-yl)phenol?
The IUPAC name of 2,6-bis(2-methylpentan-2-yl)phenol (CID 19809768) is 2,6-bis(2-methylpentan-2-yl)phenol.
What is the SMILES notation for 2,6-bis(2-methylpentan-2-yl)phenol?
The canonical SMILES for 2,6-bis(2-methylpentan-2-yl)phenol is CCCC(C)(C)c1cccc(C(C)(C)CCC)c1O.
What is the InChIKey of 2,6-bis(2-methylpentan-2-yl)phenol?
The InChIKey is KKLBGRKIXPIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-7-12-17(3,4)14-10-9-11-15(16(14)19)18(5,6)13-8-2/h9-11,19H,7-8,12-13H2,1-6H3.
What are the key properties of 2,6-bis(2-methylpentan-2-yl)phenol?
2,6-bis(2-methylpentan-2-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylpentan-2-yl)phenol is sourced from PubChem (CID 19809768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).