2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate

C32H38O8 — CID 158754091

IUPAC2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate
SMILESO=C(CCc1cccc(CCC(=O)OCCOCCOc2ccccc2)c1)OCCOCCOc1ccccc1
InChIInChI=1S/C32H38O8/c33-31(39-24-20-35-18-22-37-29-10-3-1-4-11-29)16-14-27-8-7-9-28(26-27)15-17-32(34)40-25-21-36-19-23-38-30-12-5-2-6-13-30/h1-13,26H,14-25H2
InChIKeyNWMDVDNDBOVRSQ-UHFFFAOYSA-N
MW550.65 g/mol
LogP4.83
Rot. Bonds20

About 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate

2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate (PubChem CID 158754091) has the molecular formula C32H38O8 and a molecular weight of 550.65 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate
PubChem CID158754091
Molecular FormulaC32H38O8
Molecular Weight550.65 g/mol
Exact Mass550.26
IUPAC Name2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate
SMILESO=C(CCc1cccc(CCC(=O)OCCOCCOc2ccccc2)c1)OCCOCCOc1ccccc1
InChIInChI=1S/C32H38O8/c33-31(39-24-20-35-18-22-37-29-10-3-1-4-11-29)16-14-27-8-7-9-28(26-27)15-17-32(34)40-25-21-36-19-23-38-30-12-5-2-6-13-30/h1-13,26H,14-25H2
InChIKeyNWMDVDNDBOVRSQ-UHFFFAOYSA-N
XLogP4.83
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.65
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]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-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
1-[3-[3-[3-oxo-3-(2-phenoxyethoxy)propyl]phenyl]propanoyloxy]propan-2-yl benzoate
CID 158213707
2-(2-methoxyethoxy)ethyl 3-phenylpropanoate
CID 70881793
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
4-oxo-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]butanoic acid
CID 57013169
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
2-phenoxyethyl 2-aminoacetate
CID 61302270
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
2-phenylethyl 4-oxo-4-[3-(2-phenoxyethoxy)anilino]butanoate
CID 17123549
2-bromoethyl 3-phenylpropanoate
CID 101450584

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate?
The IUPAC name of 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate (CID 158754091) is 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate.
What is the SMILES notation for 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate?
The canonical SMILES for 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate is O=C(CCc1cccc(CCC(=O)OCCOCCOc2ccccc2)c1)OCCOCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate?
The InChIKey is NWMDVDNDBOVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O8/c33-31(39-24-20-35-18-22-37-29-10-3-1-4-11-29)16-14-27-8-7-9-28(26-27)15-17-32(34)40-25-21-36-19-23-38-30-12-5-2-6-13-30/h1-13,26H,14-25H2.
What are the key properties of 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate?
2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate has a molecular weight of 550.65 g/mol, XLogP of 4.83, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)ethyl 3-[3-[3-oxo-3-[2-(2-phenoxyethoxy)ethoxy]propyl]phenyl]propanoate is sourced from PubChem (CID 158754091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).