2-tert-butyl-4-methoxyphenol;ethane

C13H22O2 — CID 91123159

IUPAC2-tert-butyl-4-methoxyphenol;ethane
SMILESCC.COc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2.C2H6/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-2/h5-7,12H,1-4H3;1-2H3
InChIKeyAQWDSOXZVHTXRR-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.72
Rot. Bonds1

About 2-tert-butyl-4-methoxyphenol;ethane

2-tert-butyl-4-methoxyphenol;ethane (PubChem CID 91123159) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxyphenol;ethane.

Molecular Properties

Compound Name2-tert-butyl-4-methoxyphenol;ethane
PubChem CID91123159
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-tert-butyl-4-methoxyphenol;ethane
SMILESCC.COc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C11H16O2.C2H6/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-2/h5-7,12H,1-4H3;1-2H3
InChIKeyAQWDSOXZVHTXRR-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 175040177
2-tert-butyl-4-methoxy-1-methylbenzene;hydrofluoride
CID 157336845
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
CID 163490839
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-tert-butyl-4-methoxyphenolate
CID 19016621
2-[(2R)-2-hydroxypent-4-en-2-yl]-4-methoxyphenol
CID 102252763
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxyphenol;ethane?
The IUPAC name of 2-tert-butyl-4-methoxyphenol;ethane (CID 91123159) is 2-tert-butyl-4-methoxyphenol;ethane.
What is the SMILES notation for 2-tert-butyl-4-methoxyphenol;ethane?
The canonical SMILES for 2-tert-butyl-4-methoxyphenol;ethane is CC.COc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methoxyphenol;ethane?
The InChIKey is AQWDSOXZVHTXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C2H6/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-2/h5-7,12H,1-4H3;1-2H3.
What are the key properties of 2-tert-butyl-4-methoxyphenol;ethane?
2-tert-butyl-4-methoxyphenol;ethane has a molecular weight of 210.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxyphenol;ethane is sourced from PubChem (CID 91123159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).