2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol

C17H30O3 — CID 175362699

IUPAC2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.OCCO
InChIInChI=1S/C15H24O.C2H6O2/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;3-1-2-4/h8-9,16H,1-7H3;3-4H,1-2H2
InChIKeyJWYPMZHBPVQKLI-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.27
Rot. Bonds1

About 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol

2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol (PubChem CID 175362699) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
PubChem CID175362699
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.OCCO
InChIInChI=1S/C15H24O.C2H6O2/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;3-1-2-4/h8-9,16H,1-7H3;3-4H,1-2H2
InChIKeyJWYPMZHBPVQKLI-UHFFFAOYSA-N
XLogP3.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol?
The IUPAC name of 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol (CID 175362699) is 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol.
What is the SMILES notation for 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol?
The canonical SMILES for 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol is Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.OCCO.
What is the InChIKey of 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol?
The InChIKey is JWYPMZHBPVQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C2H6O2/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;3-1-2-4/h8-9,16H,1-7H3;3-4H,1-2H2.
What are the key properties of 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol?
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol has a molecular weight of 282.42 g/mol, XLogP of 3.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol is sourced from PubChem (CID 175362699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).