2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol

C18H30O2 — CID 102348051

IUPAC2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H30O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)20-18(7,8)9/h10-11,19H,1-9H3
InChIKeyKXDNLXFMINGNAU-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.16
Rot. Bonds1

About 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol

2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol (PubChem CID 102348051) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID102348051
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H30O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)20-18(7,8)9/h10-11,19H,1-9H3
InChIKeyKXDNLXFMINGNAU-UHFFFAOYSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-[3-tert-butyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 21499282
(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl
CID 165356532
bis(3,5-ditert-butyl-2-hydroxyphenyl) hydrogen phosphate
CID 175526623
2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 89409425
2-(3,5-ditert-butyl-2-hydroxyphenoxy)acetate
CID 7343070
CID 135046337
CID 135046337
(3,5-ditert-butyl-2-hydroxyphenyl) decanoate
CID 174769108
(3,5-ditert-butyl-2-hydroxyphenyl) dodecanoate
CID 174769524
2-tert-butyl-6-methoxybenzene-1,4-diol
CID 121217885
CID 158661910
CID 158661910
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol (CID 102348051) is 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol is CC(C)(C)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
The InChIKey is KXDNLXFMINGNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)20-18(7,8)9/h10-11,19H,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol has a molecular weight of 278.44 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol is sourced from PubChem (CID 102348051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).