2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate

C19H28O8 — CID 163667516

IUPAC2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOc1ccc(C)cc1OCCOCCOC(C)=O
InChIInChI=1S/C19H28O8/c1-15-4-5-18(26-12-8-22-6-10-24-16(2)20)19(14-15)27-13-9-23-7-11-25-17(3)21/h4-5,14H,6-13H2,1-3H3
InChIKeyIZTMGWOJAWKZPI-UHFFFAOYSA-N
MW384.43 g/mol
LogP1.91
Rot. Bonds14

About 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate

2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate (PubChem CID 163667516) has the molecular formula C19H28O8 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
PubChem CID163667516
Molecular FormulaC19H28O8
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
SMILESCC(=O)OCCOCCOc1ccc(C)cc1OCCOCCOC(C)=O
InChIInChI=1S/C19H28O8/c1-15-4-5-18(26-12-8-22-6-10-24-16(2)20)19(14-15)27-13-9-23-7-11-25-17(3)21/h4-5,14H,6-13H2,1-3H3
InChIKeyIZTMGWOJAWKZPI-UHFFFAOYSA-N
XLogP1.91
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl 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-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
CID 6421422
3-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-(3-sulfopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 154628139
3-[2-[2-[2-[2-[2-[2-[4-methyl-2-[2-[2-[2-[2-[2-[2-(3-sulfopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 154628125
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
dipotassium;3-[2-[2-[2-[2-[2-[2-[2-[2-[4-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-(3-sulfonatopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate
CID 154628138
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2-[4-(2-acetyloxyethoxy)-3-aminophenoxy]ethyl acetate
CID 22708942
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate?
The IUPAC name of 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate (CID 163667516) is 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate is CC(=O)OCCOCCOc1ccc(C)cc1OCCOCCOC(C)=O.
What is the InChIKey of 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate?
The InChIKey is IZTMGWOJAWKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O8/c1-15-4-5-18(26-12-8-22-6-10-24-16(2)20)19(14-15)27-13-9-23-7-11-25-17(3)21/h4-5,14H,6-13H2,1-3H3.
What are the key properties of 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate?
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate has a molecular weight of 384.43 g/mol, XLogP of 1.91, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate is sourced from PubChem (CID 163667516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).