dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate

C24H40O4 — CID 20717503

IUPACdodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate
SMILESCCCCCCCCCCCCOC(=O)COc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H40O4/c1-5-6-7-8-9-10-11-12-13-14-17-27-23(26)19-28-20-15-16-22(25)21(18-20)24(2,3)4/h15-16,18,25H,5-14,17,19H2,1-4H3
InChIKeyBANIMRUAXBVDKB-UHFFFAOYSA-N
MW392.58 g/mol
LogP6.53
Rot. Bonds14

About dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate

dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate (PubChem CID 20717503) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate.

Molecular Properties

Compound Namedodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate
PubChem CID20717503
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Namedodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate
SMILESCCCCCCCCCCCCOC(=O)COc1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H40O4/c1-5-6-7-8-9-10-11-12-13-14-17-27-23(26)19-28-20-15-16-22(25)21(18-20)24(2,3)4/h15-16,18,25H,5-14,17,19H2,1-4H3
InChIKeyBANIMRUAXBVDKB-UHFFFAOYSA-N
XLogP6.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate 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-tert-butyl-4-tetradecoxyphenol
CID 19014137
octyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
CID 151797851
octadecyl 3-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 19979679
N-[2-(3-tert-butyl-4-hydroxyphenoxy)ethyl]tetradecanamide
CID 57162261
octadecyl 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 88541512
heptyl 2-(3-tert-butyl-4-hydroxyphenyl)butanoate
CID 87147637
octadecyl 2-(2,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 87558990
4-hexoxybenzene-1,2-diol
CID 23459322
nonyl 2-(4-chlorophenoxy)acetate
CID 91742043
(2-tert-butyl-4-octoxyphenyl)-phenylmethanone
CID 151939018
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate?
The IUPAC name of dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate (CID 20717503) is dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate.
What is the SMILES notation for dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate?
The canonical SMILES for dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate is CCCCCCCCCCCCOC(=O)COc1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate?
The InChIKey is BANIMRUAXBVDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O4/c1-5-6-7-8-9-10-11-12-13-14-17-27-23(26)19-28-20-15-16-22(25)21(18-20)24(2,3)4/h15-16,18,25H,5-14,17,19H2,1-4H3.
What are the key properties of dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate?
dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate has a molecular weight of 392.58 g/mol, XLogP of 6.53, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(3-tert-butyl-4-hydroxyphenoxy)acetate is sourced from PubChem (CID 20717503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).