ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate

C18H25FO5 — CID 151612453

IUPACethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate
SMILESCCOC(=O)CCCCCOC(C(=O)OCC)c1ccc(F)cc1
InChIInChI=1S/C18H25FO5/c1-3-22-16(20)8-6-5-7-13-24-17(18(21)23-4-2)14-9-11-15(19)12-10-14/h9-12,17H,3-8,13H2,1-2H3
InChIKeyQMUGESMHYTXCJI-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.57
Rot. Bonds11

About ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate

ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate (PubChem CID 151612453) has the molecular formula C18H25FO5 and a molecular weight of 340.39 g/mol. Its IUPAC name is ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate
PubChem CID151612453
Molecular FormulaC18H25FO5
Molecular Weight340.39 g/mol
Exact Mass340.17
IUPAC Nameethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate
SMILESCCOC(=O)CCCCCOC(C(=O)OCC)c1ccc(F)cc1
InChIInChI=1S/C18H25FO5/c1-3-22-16(20)8-6-5-7-13-24-17(18(21)23-4-2)14-9-11-15(19)12-10-14/h9-12,17H,3-8,13H2,1-2H3
InChIKeyQMUGESMHYTXCJI-UHFFFAOYSA-N
XLogP3.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate 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

carbon dioxide;ethyl 2-(4-fluorophenyl)-2-pentoxyacetate
CID 158948360
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
5-O-[1-(4-fluorophenyl)ethyl] 1-O-heptyl pentanedioate
CID 91711814
[(1S)-3-ethoxy-1-(4-fluorophenyl)-3-oxopropyl] butanoate
CID 11437511
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl 7-[ethyl-(4-fluorobenzoyl)amino]heptanoate
CID 163254624
ethyl 7-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]heptanoate
CID 19094159
ethyl 6-aminooxyhexanoate
CID 10559164
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
diethyl icosanedioate
CID 5058538
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)-hydroxymethyl]phenyl]propanoate
CID 19962357

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate?
The IUPAC name of ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate (CID 151612453) is ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate.
What is the SMILES notation for ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate?
The canonical SMILES for ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate is CCOC(=O)CCCCCOC(C(=O)OCC)c1ccc(F)cc1.
What is the InChIKey of ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate?
The InChIKey is QMUGESMHYTXCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO5/c1-3-22-16(20)8-6-5-7-13-24-17(18(21)23-4-2)14-9-11-15(19)12-10-14/h9-12,17H,3-8,13H2,1-2H3.
What are the key properties of ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate?
ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate has a molecular weight of 340.39 g/mol, XLogP of 3.57, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-ethoxy-1-(4-fluorophenyl)-2-oxoethoxy]hexanoate is sourced from PubChem (CID 151612453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).