4-[4-(4-tert-butylphenoxy)phenoxy]phenol

C22H22O3 — CID 143727417

IUPAC4-[4-(4-tert-butylphenoxy)phenoxy]phenol
SMILESCC(C)(C)c1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H22O3/c1-22(2,3)16-4-8-18(9-5-16)24-20-12-14-21(15-13-20)25-19-10-6-17(23)7-11-19/h4-15,23H,1-3H3
InChIKeyDGEOYGGPPVOCAD-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.27
Rot. Bonds4

About 4-[4-(4-tert-butylphenoxy)phenoxy]phenol

4-[4-(4-tert-butylphenoxy)phenoxy]phenol (PubChem CID 143727417) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenoxy)phenoxy]phenol.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenoxy)phenoxy]phenol
PubChem CID143727417
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name4-[4-(4-tert-butylphenoxy)phenoxy]phenol
SMILESCC(C)(C)c1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H22O3/c1-22(2,3)16-4-8-18(9-5-16)24-20-12-14-21(15-13-20)25-19-10-6-17(23)7-11-19/h4-15,23H,1-3H3
InChIKeyDGEOYGGPPVOCAD-UHFFFAOYSA-N
XLogP6.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
CID 14710986
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
bis[4-(4-tert-butylphenoxy)phenyl]diazene
CID 86182593
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenoxy)phenoxy]phenol?
The IUPAC name of 4-[4-(4-tert-butylphenoxy)phenoxy]phenol (CID 143727417) is 4-[4-(4-tert-butylphenoxy)phenoxy]phenol.
What is the SMILES notation for 4-[4-(4-tert-butylphenoxy)phenoxy]phenol?
The canonical SMILES for 4-[4-(4-tert-butylphenoxy)phenoxy]phenol is CC(C)(C)c1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-tert-butylphenoxy)phenoxy]phenol?
The InChIKey is DGEOYGGPPVOCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-22(2,3)16-4-8-18(9-5-16)24-20-12-14-21(15-13-20)25-19-10-6-17(23)7-11-19/h4-15,23H,1-3H3.
What are the key properties of 4-[4-(4-tert-butylphenoxy)phenoxy]phenol?
4-[4-(4-tert-butylphenoxy)phenoxy]phenol has a molecular weight of 334.42 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenoxy)phenoxy]phenol is sourced from PubChem (CID 143727417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).