2-tert-butyl-4-(4-ethoxyphenoxy)phenol

C18H22O3 — CID 21466161

IUPAC2-tert-butyl-4-(4-ethoxyphenoxy)phenol
SMILESCCOc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C18H22O3/c1-5-20-13-6-8-14(9-7-13)21-15-10-11-17(19)16(12-15)18(2,3)4/h6-12,19H,5H2,1-4H3
InChIKeyQALKUWVHJXROJW-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.88
Rot. Bonds4

About 2-tert-butyl-4-(4-ethoxyphenoxy)phenol

2-tert-butyl-4-(4-ethoxyphenoxy)phenol (PubChem CID 21466161) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-ethoxyphenoxy)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(4-ethoxyphenoxy)phenol
PubChem CID21466161
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2-tert-butyl-4-(4-ethoxyphenoxy)phenol
SMILESCCOc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C18H22O3/c1-5-20-13-6-8-14(9-7-13)21-15-10-11-17(19)16(12-15)18(2,3)4/h6-12,19H,5H2,1-4H3
InChIKeyQALKUWVHJXROJW-UHFFFAOYSA-N
XLogP4.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
CID 21466417
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
3-tert-butyl-2-(2-tert-butyl-4-ethoxyphenyl)-5-ethoxyphenol
CID 141260432
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 175040177
2-tert-butyl-4-methoxyphenol;6-ethoxy-2,2,4-trimethyl-1H-quinoline
CID 174821422
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
4-(4-ethoxyphenoxy)-2-methylbenzenecarbothioamide
CID 81277177

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-ethoxyphenoxy)phenol?
The IUPAC name of 2-tert-butyl-4-(4-ethoxyphenoxy)phenol (CID 21466161) is 2-tert-butyl-4-(4-ethoxyphenoxy)phenol.
What is the SMILES notation for 2-tert-butyl-4-(4-ethoxyphenoxy)phenol?
The canonical SMILES for 2-tert-butyl-4-(4-ethoxyphenoxy)phenol is CCOc1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1.
What is the InChIKey of 2-tert-butyl-4-(4-ethoxyphenoxy)phenol?
The InChIKey is QALKUWVHJXROJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-5-20-13-6-8-14(9-7-13)21-15-10-11-17(19)16(12-15)18(2,3)4/h6-12,19H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(4-ethoxyphenoxy)phenol?
2-tert-butyl-4-(4-ethoxyphenoxy)phenol has a molecular weight of 286.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-ethoxyphenoxy)phenol is sourced from PubChem (CID 21466161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).