2,3,4-tris(2,3,4-tributylphenoxy)phenol

C60H90O4 — CID 67178539

IUPAC2,3,4-tris(2,3,4-tributylphenoxy)phenol
SMILESCCCCc1ccc(Oc2ccc(O)c(Oc3ccc(CCCC)c(CCCC)c3CCCC)c2Oc2ccc(CCCC)c(CCCC)c2CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C60H90O4/c1-10-19-28-45-37-41-55(51(34-25-16-7)48(45)31-22-13-4)62-58-44-40-54(61)59(63-56-42-38-46(29-20-11-2)49(32-23-14-5)52(56)35-26-17-8)60(58)64-57-43-39-47(30-21-12-3)50(33-24-15-6)53(57)36-27-18-9/h37-44,61H,10-36H2,1-9H3
InChIKeyAWIAZMGAMCARJK-UHFFFAOYSA-N
MW875.38 g/mol
LogP18.85
Rot. Bonds33

About 2,3,4-tris(2,3,4-tributylphenoxy)phenol

2,3,4-tris(2,3,4-tributylphenoxy)phenol (PubChem CID 67178539) has the molecular formula C60H90O4 and a molecular weight of 875.38 g/mol. Its IUPAC name is 2,3,4-tris(2,3,4-tributylphenoxy)phenol.

Molecular Properties

Compound Name2,3,4-tris(2,3,4-tributylphenoxy)phenol
PubChem CID67178539
Molecular FormulaC60H90O4
Molecular Weight875.38 g/mol
Exact Mass874.68
IUPAC Name2,3,4-tris(2,3,4-tributylphenoxy)phenol
SMILESCCCCc1ccc(Oc2ccc(O)c(Oc3ccc(CCCC)c(CCCC)c3CCCC)c2Oc2ccc(CCCC)c(CCCC)c2CCCC)c(CCCC)c1CCCC
InChIInChI=1S/C60H90O4/c1-10-19-28-45-37-41-55(51(34-25-16-7)48(45)31-22-13-4)62-58-44-40-54(61)59(63-56-42-38-46(29-20-11-2)49(32-23-14-5)52(56)35-26-17-8)60(58)64-57-43-39-47(30-21-12-3)50(33-24-15-6)53(57)36-27-18-9/h37-44,61H,10-36H2,1-9H3
InChIKeyAWIAZMGAMCARJK-UHFFFAOYSA-N
XLogP18.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.38
LogP ≤ 518.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(2,3,4-tripropylphenoxy)phenol
CID 67179385
1,2,3,4-tetrabutylbenzene
CID 11220391
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
4-butyl-3-pentyl-2-phenoxyphenol
CID 66865510
tris(2,3,4-tributylphenyl) borate
CID 68718164
3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-3-nonyl-2-phenoxyphenol
CID 66867200
(2,3,4-tributylphenyl) (2,3,4-trimethylphenyl) carbonate
CID 67180491
3,4-di(nonyl)-2-phenoxyphenol
CID 66867862
4-hexyl-3-nonyl-2-phenoxyphenol
CID 66865889
2,3,4-tributyl-6-(3,4,5-tributyl-2-hydroxyphenoxy)phenol
CID 177309933

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(2,3,4-tributylphenoxy)phenol?
The IUPAC name of 2,3,4-tris(2,3,4-tributylphenoxy)phenol (CID 67178539) is 2,3,4-tris(2,3,4-tributylphenoxy)phenol.
What is the SMILES notation for 2,3,4-tris(2,3,4-tributylphenoxy)phenol?
The canonical SMILES for 2,3,4-tris(2,3,4-tributylphenoxy)phenol is CCCCc1ccc(Oc2ccc(O)c(Oc3ccc(CCCC)c(CCCC)c3CCCC)c2Oc2ccc(CCCC)c(CCCC)c2CCCC)c(CCCC)c1CCCC.
What is the InChIKey of 2,3,4-tris(2,3,4-tributylphenoxy)phenol?
The InChIKey is AWIAZMGAMCARJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H90O4/c1-10-19-28-45-37-41-55(51(34-25-16-7)48(45)31-22-13-4)62-58-44-40-54(61)59(63-56-42-38-46(29-20-11-2)49(32-23-14-5)52(56)35-26-17-8)60(58)64-57-43-39-47(30-21-12-3)50(33-24-15-6)53(57)36-27-18-9/h37-44,61H,10-36H2,1-9H3.
What are the key properties of 2,3,4-tris(2,3,4-tributylphenoxy)phenol?
2,3,4-tris(2,3,4-tributylphenoxy)phenol has a molecular weight of 875.38 g/mol, XLogP of 18.85, 33 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(2,3,4-tributylphenoxy)phenol is sourced from PubChem (CID 67178539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).