2-(4-hydroxyphenyl)ethyl tetradecanoate

C22H36O3 — CID 11848618

IUPAC2-(4-hydroxyphenyl)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-17,23H,2-13,18-19H2,1H3
InChIKeyIYFWYOGGSVZZRU-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.18
Rot. Bonds15

About 2-(4-hydroxyphenyl)ethyl tetradecanoate

2-(4-hydroxyphenyl)ethyl tetradecanoate (PubChem CID 11848618) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl tetradecanoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl tetradecanoate
PubChem CID11848618
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name2-(4-hydroxyphenyl)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-17,23H,2-13,18-19H2,1H3
InChIKeyIYFWYOGGSVZZRU-UHFFFAOYSA-N
XLogP6.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)ethyl tetradecanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl tetradecanoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl tetradecanoate (CID 11848618) is 2-(4-hydroxyphenyl)ethyl tetradecanoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl tetradecanoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl tetradecanoate?
The InChIKey is IYFWYOGGSVZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-17,23H,2-13,18-19H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl tetradecanoate?
2-(4-hydroxyphenyl)ethyl tetradecanoate has a molecular weight of 348.53 g/mol, XLogP of 6.18, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl tetradecanoate is sourced from PubChem (CID 11848618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).