[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C43H67NO6 — CID 57029713

IUPAC[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)OC2CC(C)(C)N(OCC(=O)Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(C)(C)C2)cc(C(C)(C)C)c1O
InChIInChI=1S/C43H67NO6/c1-38(2,3)31-20-27(21-32(36(31)47)39(4,5)6)17-18-35(46)50-30-24-42(13,14)44(43(15,16)25-30)49-26-29(45)19-28-22-33(40(7,8)9)37(48)34(23-28)41(10,11)12/h20-23,30,47-48H,17-19,24-26H2,1-16H3
InChIKeyCILVZCOGHRJEEH-UHFFFAOYSA-N
MW694.01 g/mol
LogP9.53
Rot. Bonds9

About [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 57029713) has the molecular formula C43H67NO6 and a molecular weight of 694.01 g/mol. Its IUPAC name is [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
PubChem CID57029713
Molecular FormulaC43H67NO6
Molecular Weight694.01 g/mol
Exact Mass693.50
IUPAC Name[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
SMILESCC(C)(C)c1cc(CCC(=O)OC2CC(C)(C)N(OCC(=O)Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(C)(C)C2)cc(C(C)(C)C)c1O
InChIInChI=1S/C43H67NO6/c1-38(2,3)31-20-27(21-32(36(31)47)39(4,5)6)17-18-35(46)50-30-24-42(13,14)44(43(15,16)25-30)49-26-29(45)19-28-22-33(40(7,8)9)37(48)34(23-28)41(10,11)12/h20-23,30,47-48H,17-19,24-26H2,1-16H3
InChIKeyCILVZCOGHRJEEH-UHFFFAOYSA-N
XLogP9.53
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.01
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 19044858
2,6-ditert-butyl-4-ethylphenol;(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;oxocobalt
CID 87664267
4-O-[3-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]phenyl]phenoxy]carbonyl-5-[4-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybutanoyl]oxyphenyl] 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) butanedioate
CID 58030547
(2,3,4,5,6-pentahydroxycyclohexyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 155475940
[1-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-1-enoxy]butyl]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 150922217
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-[3-tert-butyl-5-[4-(3-chlorophenyl)triazol-2-yl]-4-hydroxyphenyl]propanoate
CID 87978466
bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl] oxalate
CID 175496216
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
phenyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 139663069
[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;phosphane
CID 175291494

Frequently Asked Questions

What is the IUPAC name of [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The IUPAC name of [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 57029713) is [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC(C)(C)c1cc(CCC(=O)OC2CC(C)(C)N(OCC(=O)Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(C)(C)C2)cc(C(C)(C)C)c1O.
What is the InChIKey of [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
The InChIKey is CILVZCOGHRJEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H67NO6/c1-38(2,3)31-20-27(21-32(36(31)47)39(4,5)6)17-18-35(46)50-30-24-42(13,14)44(43(15,16)25-30)49-26-29(45)19-28-22-33(40(7,8)9)37(48)34(23-28)41(10,11)12/h20-23,30,47-48H,17-19,24-26H2,1-16H3.
What are the key properties of [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?
[1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 694.01 g/mol, XLogP of 9.53, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxopropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 57029713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).