2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate

C33H50O7 — CID 156896288

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
SMILESCCc1cc(C(C)(C(=O)OCCOCCOCCO)c2cc(CC)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C33H50O7/c1-10-22-18-24(20-26(28(22)35)31(3,4)5)33(9,30(37)40-17-16-39-15-14-38-13-12-34)25-19-23(11-2)29(36)27(21-25)32(6,7)8/h18-21,34-36H,10-17H2,1-9H3
InChIKeyCDBFOKBIXBIBQV-UHFFFAOYSA-N
MW558.76 g/mol
LogP5.69
Rot. Bonds13

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate (PubChem CID 156896288) has the molecular formula C33H50O7 and a molecular weight of 558.76 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
PubChem CID156896288
Molecular FormulaC33H50O7
Molecular Weight558.76 g/mol
Exact Mass558.36
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate
SMILESCCc1cc(C(C)(C(=O)OCCOCCOCCO)c2cc(CC)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C33H50O7/c1-10-22-18-24(20-26(28(22)35)31(3,4)5)33(9,30(37)40-17-16-39-15-14-38-13-12-34)25-19-23(11-2)29(36)27(21-25)32(6,7)8/h18-21,34-36H,10-17H2,1-9H3
InChIKeyCDBFOKBIXBIBQV-UHFFFAOYSA-N
XLogP5.69
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.76
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-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

2-(2-hydroxyethoxy)ethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87557993
butane;2-hydroxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87081558
2-hydroxyethyl 2,2-bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
CID 87393246
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
dioctadecyl 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]propanedioate
CID 154273121
bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);2-ethoxyethanol
CID 87433847
2-hydroxyethyl 3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2-ethylpentanoate
CID 87081559
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
CID 87776014
4-hydroxybutyl 3,3-bis(3,5-ditert-butyl-4-hydroxyphenyl)butanoate
CID 88821309
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate (CID 156896288) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate is CCc1cc(C(C)(C(=O)OCCOCCOCCO)c2cc(CC)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
The InChIKey is CDBFOKBIXBIBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O7/c1-10-22-18-24(20-26(28(22)35)31(3,4)5)33(9,30(37)40-17-16-39-15-14-38-13-12-34)25-19-23(11-2)29(36)27(21-25)32(6,7)8/h18-21,34-36H,10-17H2,1-9H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate has a molecular weight of 558.76 g/mol, XLogP of 5.69, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2,2-bis(3-tert-butyl-5-ethyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 156896288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).