methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate

C17H17FO4 — CID 54068292

IUPACmethyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO4/c1-12(17(19)20-2)22-16-7-3-13(4-8-16)11-21-15-9-5-14(18)6-10-15/h3-10,12H,11H2,1-2H3
InChIKeyMEPIUESYUMZHLO-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate

methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate (PubChem CID 54068292) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
PubChem CID54068292
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO4/c1-12(17(19)20-2)22-16-7-3-13(4-8-16)11-21-15-9-5-14(18)6-10-15/h3-10,12H,11H2,1-2H3
InChIKeyMEPIUESYUMZHLO-UHFFFAOYSA-N
XLogP3.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl (2R)-2-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 107708333
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methoxyheptanoate
CID 139937384
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
methyl (2S)-2-[4-(cyanomethyl)phenoxy]propanoate
CID 103337710

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate (CID 54068292) is methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(COc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate?
The InChIKey is MEPIUESYUMZHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-12(17(19)20-2)22-16-7-3-13(4-8-16)11-21-15-9-5-14(18)6-10-15/h3-10,12H,11H2,1-2H3.
What are the key properties of methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate?
methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate has a molecular weight of 304.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-fluorophenoxy)methyl]phenoxy]propanoate is sourced from PubChem (CID 54068292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).