ethyl 3-[(2-fluorophenyl)methoxy]propanoate

C12H15FO3 — CID 63931594

IUPACethyl 3-[(2-fluorophenyl)methoxy]propanoate
SMILESCCOC(=O)CCOCc1ccccc1F
InChIInChI=1S/C12H15FO3/c1-2-16-12(14)7-8-15-9-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3
InChIKeyNQYZCUUWUNYQSS-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.30
Rot. Bonds6

About ethyl 3-[(2-fluorophenyl)methoxy]propanoate

ethyl 3-[(2-fluorophenyl)methoxy]propanoate (PubChem CID 63931594) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 3-[(2-fluorophenyl)methoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-fluorophenyl)methoxy]propanoate
PubChem CID63931594
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-[(2-fluorophenyl)methoxy]propanoate
SMILESCCOC(=O)CCOCc1ccccc1F
InChIInChI=1S/C12H15FO3/c1-2-16-12(14)7-8-15-9-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3
InChIKeyNQYZCUUWUNYQSS-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-[(2-fluorophenyl)methoxy]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

N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
CID 63934653
ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427
1-(4-fluorophenyl)-3-[(2-fluorophenyl)methoxy]propan-1-one
CID 63935532
(5-ethoxy-5-oxopentyl)-[(2-fluorophenyl)methyl]azanium
CID 4167909
(2-fluorophenyl)methyl 5-aminohexanoate
CID 82847460
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-O-butyl 4-O-[2-(2-fluorophenyl)ethyl] butanedioate
CID 91711418
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluorophenyl)methoxy]propanoate?
The IUPAC name of ethyl 3-[(2-fluorophenyl)methoxy]propanoate (CID 63931594) is ethyl 3-[(2-fluorophenyl)methoxy]propanoate.
What is the SMILES notation for ethyl 3-[(2-fluorophenyl)methoxy]propanoate?
The canonical SMILES for ethyl 3-[(2-fluorophenyl)methoxy]propanoate is CCOC(=O)CCOCc1ccccc1F.
What is the InChIKey of ethyl 3-[(2-fluorophenyl)methoxy]propanoate?
The InChIKey is NQYZCUUWUNYQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-2-16-12(14)7-8-15-9-10-5-3-4-6-11(10)13/h3-6H,2,7-9H2,1H3.
What are the key properties of ethyl 3-[(2-fluorophenyl)methoxy]propanoate?
ethyl 3-[(2-fluorophenyl)methoxy]propanoate has a molecular weight of 226.25 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-fluorophenyl)methoxy]propanoate is sourced from PubChem (CID 63931594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).