2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol

C20H26O3 — CID 18178010

IUPAC2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
SMILESCC(C)(C)c1cc(Oc2ccc(O)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C20H26O3/c1-19(2,3)15-11-13(7-9-17(15)21)23-14-8-10-18(22)16(12-14)20(4,5)6/h7-12,21-22H,1-6H3
InChIKeyRMVLMEDROQJTSS-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.49
Rot. Bonds2

About 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol

2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol (PubChem CID 18178010) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
PubChem CID18178010
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
SMILESCC(C)(C)c1cc(Oc2ccc(O)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C20H26O3/c1-19(2,3)15-11-13(7-9-17(15)21)23-14-8-10-18(22)16(12-14)20(4,5)6/h7-12,21-22H,1-6H3
InChIKeyRMVLMEDROQJTSS-UHFFFAOYSA-N
XLogP5.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 175040177
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322
2-tert-butyl-4-(4-methoxyphenyl)phenol
CID 135087141
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
CID 54454280
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
2-[4-(3-tert-butyl-4-hydroxyphenoxy)-N-(carboxymethyl)-3,5-dichloroanilino]acetic acid
CID 87495450

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol?
The IUPAC name of 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol (CID 18178010) is 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol.
What is the SMILES notation for 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol?
The canonical SMILES for 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol is CC(C)(C)c1cc(Oc2ccc(O)c(C(C)(C)C)c2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol?
The InChIKey is RMVLMEDROQJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-19(2,3)15-11-13(7-9-17(15)21)23-14-8-10-18(22)16(12-14)20(4,5)6/h7-12,21-22H,1-6H3.
What are the key properties of 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol?
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol has a molecular weight of 314.43 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol is sourced from PubChem (CID 18178010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).