[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate

C70H102O12 — CID 134552346

IUPAC[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
SMILESCC(C)OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc4cc(C(C)C)c(O)c(C(C)(C)C)c4)c3)c2)c1
InChIInChI=1S/C70H102O12/c1-42(2)48-31-44(32-49(60(48)75)64(5,6)7)23-27-56(71)79-39-68(17,18)53-36-45(33-50(61(53)76)65(8,9)10)24-28-57(72)80-40-69(19,20)54-37-46(34-51(62(54)77)66(11,12)13)25-29-58(73)81-41-70(21,22)55-38-47(26-30-59(74)82-43(3)4)35-52(63(55)78)67(14,15)16/h31-38,42-43,75-78H,23-30,39-41H2,1-22H3
InChIKeyPZYLHJJMASLFDA-UHFFFAOYSA-N
MW1135.57 g/mol
LogP15.07
Rot. Bonds23

About [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate

[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate (PubChem CID 134552346) has the molecular formula C70H102O12 and a molecular weight of 1135.57 g/mol. Its IUPAC name is [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Name[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
PubChem CID134552346
Molecular FormulaC70H102O12
Molecular Weight1135.57 g/mol
Exact Mass1134.74
IUPAC Name[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
SMILESCC(C)OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc4cc(C(C)C)c(O)c(C(C)(C)C)c4)c3)c2)c1
InChIInChI=1S/C70H102O12/c1-42(2)48-31-44(32-49(60(48)75)64(5,6)7)23-27-56(71)79-39-68(17,18)53-36-45(33-50(61(53)76)65(8,9)10)24-28-57(72)80-40-69(19,20)54-37-46(34-51(62(54)77)66(11,12)13)25-29-58(73)81-41-70(21,22)55-38-47(26-30-59(74)82-43(3)4)35-52(63(55)78)67(14,15)16/h31-38,42-43,75-78H,23-30,39-41H2,1-22H3
InChIKeyPZYLHJJMASLFDA-UHFFFAOYSA-N
XLogP15.07
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.57
LogP ≤ 515.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate with MolForge

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Related Compounds

[3-[3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxy]-3-methylbutyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 91272365
[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 161430473
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
2-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 58500719
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
methyl 3-[3-tert-butyl-5-[5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2-methylpentan-2-yl]-4-hydroxyphenyl]propanoate
CID 166737137
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 129256624
methyl 3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanoate
CID 14401625
[2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-methoxypropyl] 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate
CID 89069906
1,5-dioxopentan-3-yl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 58798051
[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]-3-[3-(4-hydroxyphenyl)propanoyloxy]-2-[3-(4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(4-hydroxyphenyl)propanoate
CID 140565721

Frequently Asked Questions

What is the IUPAC name of [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate?
The IUPAC name of [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate (CID 134552346) is [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate.
What is the SMILES notation for [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate?
The canonical SMILES for [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate is CC(C)OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)COC(=O)CCc4cc(C(C)C)c(O)c(C(C)(C)C)c4)c3)c2)c1.
What is the InChIKey of [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate?
The InChIKey is PZYLHJJMASLFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H102O12/c1-42(2)48-31-44(32-49(60(48)75)64(5,6)7)23-27-56(71)79-39-68(17,18)53-36-45(33-50(61(53)76)65(8,9)10)24-28-57(72)80-40-69(19,20)54-37-46(34-51(62(54)77)66(11,12)13)25-29-58(73)81-41-70(21,22)55-38-47(26-30-59(74)82-43(3)4)35-52(63(55)78)67(14,15)16/h31-38,42-43,75-78H,23-30,39-41H2,1-22H3.
What are the key properties of [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate?
[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate has a molecular weight of 1135.57 g/mol, XLogP of 15.07, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-5-[3-[2-[3-tert-butyl-2-hydroxy-5-(3-oxo-3-propan-2-yloxypropyl)phenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropoxy]-3-oxopropyl]-2-hydroxyphenyl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 134552346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).