methyl 2-(4-fluorophenoxy)acetate

C9H9FO3 — CID 580550

IUPACmethyl 2-(4-fluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(F)cc1
InChIInChI=1S/C9H9FO3/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKeyDIMNXSMXSUMRET-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.38
Rot. Bonds3

About methyl 2-(4-fluorophenoxy)acetate

methyl 2-(4-fluorophenoxy)acetate (PubChem CID 580550) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenoxy)acetate
PubChem CID580550
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-(4-fluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(F)cc1
InChIInChI=1S/C9H9FO3/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKeyDIMNXSMXSUMRET-UHFFFAOYSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetate
CID 43406909
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenoxy)acetate?
The IUPAC name of methyl 2-(4-fluorophenoxy)acetate (CID 580550) is methyl 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for methyl 2-(4-fluorophenoxy)acetate?
The canonical SMILES for methyl 2-(4-fluorophenoxy)acetate is COC(=O)COc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenoxy)acetate?
The InChIKey is DIMNXSMXSUMRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(4-fluorophenoxy)acetate?
methyl 2-(4-fluorophenoxy)acetate has a molecular weight of 184.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 580550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).