2,6-ditert-butyl-4-ethoxyphenol;ethane

C18H32O2 — CID 143041042

IUPAC2,6-ditert-butyl-4-ethoxyphenol;ethane
SMILESCC.CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O2.C2H6/c1-8-18-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-2/h9-10,17H,8H2,1-7H3;1-2H3
InChIKeyFCZQAMZQDQBHRC-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.41
Rot. Bonds2

About 2,6-ditert-butyl-4-ethoxyphenol;ethane

2,6-ditert-butyl-4-ethoxyphenol;ethane (PubChem CID 143041042) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-ethoxyphenol;ethane.

Molecular Properties

Compound Name2,6-ditert-butyl-4-ethoxyphenol;ethane
PubChem CID143041042
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2,6-ditert-butyl-4-ethoxyphenol;ethane
SMILESCC.CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H26O2.C2H6/c1-8-18-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-2/h9-10,17H,8H2,1-7H3;1-2H3
InChIKeyFCZQAMZQDQBHRC-UHFFFAOYSA-N
XLogP5.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
2,6-ditert-butyl-4-methoxyphenol
CID 10269
3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol
CID 141260432
4-(3,5-ditert-butyl-4-hydroxyphenoxy)butanenitrile
CID 15027734
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-propoxyphenyl)disulfanyl]-4-propoxyphenol
CID 21499216
2-tert-butyl-6-ethoxy-4-sulfanylphenol
CID 174908633
4-ethoxy-2-iodo-6-(trifluoromethyl)phenol
CID 171002578
2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol
CID 11475991
2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
CID 15486872
(3,5-ditert-butyl-4-hydroxyphenyl) 3,3,3-tris(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87998164

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-ethoxyphenol;ethane?
The IUPAC name of 2,6-ditert-butyl-4-ethoxyphenol;ethane (CID 143041042) is 2,6-ditert-butyl-4-ethoxyphenol;ethane.
What is the SMILES notation for 2,6-ditert-butyl-4-ethoxyphenol;ethane?
The canonical SMILES for 2,6-ditert-butyl-4-ethoxyphenol;ethane is CC.CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-ethoxyphenol;ethane?
The InChIKey is FCZQAMZQDQBHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2.C2H6/c1-8-18-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7;1-2/h9-10,17H,8H2,1-7H3;1-2H3.
What are the key properties of 2,6-ditert-butyl-4-ethoxyphenol;ethane?
2,6-ditert-butyl-4-ethoxyphenol;ethane has a molecular weight of 280.45 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-ethoxyphenol;ethane is sourced from PubChem (CID 143041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).