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

C18H30O — CID 88886549

IUPAC2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cccc(CC(C)(C)CC)c1O
InChIInChI=1S/C18H30O/c1-7-12-18(5,6)15-11-9-10-14(16(15)19)13-17(3,4)8-2/h9-11,19H,7-8,12-13H2,1-6H3
InChIKeyQYWGYJRQVZLSKJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.45
Rot. Bonds6

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

2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol (PubChem CID 88886549) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
PubChem CID88886549
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
SMILESCCCC(C)(C)c1cccc(CC(C)(C)CC)c1O
InChIInChI=1S/C18H30O/c1-7-12-18(5,6)15-11-9-10-14(16(15)19)13-17(3,4)8-2/h9-11,19H,7-8,12-13H2,1-6H3
InChIKeyQYWGYJRQVZLSKJ-UHFFFAOYSA-N
XLogP5.45
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 ≤ 55.45
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-methylpentan-2-yl)phenol
CID 19809768
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol
CID 130178622
2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
CID 163862555
2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
CID 12617722
CID 67612483
CID 67612483
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-tert-butyl-6-pentadecylphenol
CID 151192860
tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane
CID 140891502

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol?
The IUPAC name of 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol (CID 88886549) is 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol?
The canonical SMILES for 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol is CCCC(C)(C)c1cccc(CC(C)(C)CC)c1O.
What is the InChIKey of 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol?
The InChIKey is QYWGYJRQVZLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-7-12-18(5,6)15-11-9-10-14(16(15)19)13-17(3,4)8-2/h9-11,19H,7-8,12-13H2,1-6H3.
What are the key properties of 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol?
2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol has a molecular weight of 262.44 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol is sourced from PubChem (CID 88886549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).