methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate

C17H17FO4 — CID 69037597

IUPACmethyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FO4/c1-20-17(19)9-10-21-15-5-7-16(8-6-15)22-12-13-3-2-4-14(18)11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyDOXRAYIICYCYSP-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.35
Rot. Bonds7

About methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate

methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate (PubChem CID 69037597) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
PubChem CID69037597
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Namemethyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
SMILESCOC(=O)CCOc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FO4/c1-20-17(19)9-10-21-15-5-7-16(8-6-15)22-12-13-3-2-4-14(18)11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyDOXRAYIICYCYSP-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]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

methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
methyl 3-[4-[[3-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]propanoate
CID 58903192
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
N-[4-[(3-fluorophenyl)methoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112828000
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466311
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate?
The IUPAC name of methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate (CID 69037597) is methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate?
The canonical SMILES for methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate is COC(=O)CCOc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate?
The InChIKey is DOXRAYIICYCYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-20-17(19)9-10-21-15-5-7-16(8-6-15)22-12-13-3-2-4-14(18)11-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate?
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate has a molecular weight of 304.32 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate is sourced from PubChem (CID 69037597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).