(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate

C20H24O3 — CID 19179473

IUPAC(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate
SMILESCCc1cccc(OCC(=O)Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H24O3/c1-5-15-9-8-10-16(13-15)22-14-19(21)23-18-12-7-6-11-17(18)20(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyMIKHFNBEUAQBAQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.53
Rot. Bonds5

About (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate

(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate (PubChem CID 19179473) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate.

Molecular Properties

Compound Name(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate
PubChem CID19179473
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate
SMILESCCc1cccc(OCC(=O)Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H24O3/c1-5-15-9-8-10-16(13-15)22-14-19(21)23-18-12-7-6-11-17(18)20(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyMIKHFNBEUAQBAQ-UHFFFAOYSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-tert-butylphenyl) 2-(3-ethylphenoxy)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-formylphenyl) 2-(3-ethylphenoxy)acetate
CID 39199858
N-(2-tert-butylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7920123
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
5-chloro-2-[2-(3-ethylphenoxy)acetyl]oxybenzoic acid
CID 54854867
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
2-(3-ethylphenoxy)ethyl 2-(2-fluorophenoxy)acetate
CID 55316441
(2-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178987
(4-acetylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 19179920
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
(4-benzoylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 43910968
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate?
The IUPAC name of (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate (CID 19179473) is (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate.
What is the SMILES notation for (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate?
The canonical SMILES for (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate is CCc1cccc(OCC(=O)Oc2ccccc2C(C)(C)C)c1.
What is the InChIKey of (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate?
The InChIKey is MIKHFNBEUAQBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-5-15-9-8-10-16(13-15)22-14-19(21)23-18-12-7-6-11-17(18)20(2,3)4/h6-13H,5,14H2,1-4H3.
What are the key properties of (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate?
(2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate has a molecular weight of 312.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) 2-(3-ethylphenoxy)acetate is sourced from PubChem (CID 19179473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).