2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol

C73H116O8 — CID 21482215

IUPAC2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol
SMILESCC(COCC(COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C73H116O8/c1-45(49-29-53(65(5,6)7)61(74)54(30-49)66(8,9)10)37-78-41-73(42-79-38-46(2)50-31-55(67(11,12)13)62(75)56(32-50)68(14,15)16,43-80-39-47(3)51-33-57(69(17,18)19)63(76)58(34-51)70(20,21)22)44-81-40-48(4)52-35-59(71(23,24)25)64(77)60(36-52)72(26,27)28/h29-36,45-48,74-77H,37-44H2,1-28H3
InChIKeyLMUCJARFALBDDM-UHFFFAOYSA-N
MW1121.72 g/mol
LogP18.46
Rot. Bonds20

About 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol

2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol (PubChem CID 21482215) has the molecular formula C73H116O8 and a molecular weight of 1121.72 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol
PubChem CID21482215
Molecular FormulaC73H116O8
Molecular Weight1121.72 g/mol
Exact Mass1120.87
IUPAC Name2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol
SMILESCC(COCC(COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C73H116O8/c1-45(49-29-53(65(5,6)7)61(74)54(30-49)66(8,9)10)37-78-41-73(42-79-38-46(2)50-31-55(67(11,12)13)62(75)56(32-50)68(14,15)16,43-80-39-47(3)51-33-57(69(17,18)19)63(76)58(34-51)70(20,21)22)44-81-40-48(4)52-35-59(71(23,24)25)64(77)60(36-52)72(26,27)28/h29-36,45-48,74-77H,37-44H2,1-28H3
InChIKeyLMUCJARFALBDDM-UHFFFAOYSA-N
XLogP18.46
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.72
LogP ≤ 518.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol with MolForge

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Related Compounds

2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-(4-butan-2-yl-2,6-ditert-butylphenyl)-2,6-ditert-butylphenol
CID 144959528
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
4-(2-amino-1-hydroxypropyl)-2,6-ditert-butylphenol
CID 43209074
2-[2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetyl]oxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87082508
2,6-ditert-butyl-4-methoxyphenol
CID 10269
5-butan-2-yl-3-tert-butyl-2-hydroxybenzaldehyde
CID 22082143
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol (CID 21482215) is 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol is CC(COCC(COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)COCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol?
The InChIKey is LMUCJARFALBDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H116O8/c1-45(49-29-53(65(5,6)7)61(74)54(30-49)66(8,9)10)37-78-41-73(42-79-38-46(2)50-31-55(67(11,12)13)62(75)56(32-50)68(14,15)16,43-80-39-47(3)51-33-57(69(17,18)19)63(76)58(34-51)70(20,21)22)44-81-40-48(4)52-35-59(71(23,24)25)64(77)60(36-52)72(26,27)28/h29-36,45-48,74-77H,37-44H2,1-28H3.
What are the key properties of 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol?
2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol has a molecular weight of 1121.72 g/mol, XLogP of 18.46, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[1-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)propoxymethyl]propoxy]propan-2-yl]phenol is sourced from PubChem (CID 21482215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).