methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate

C15H14FNO3 — CID 43259245

IUPACmethyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(N)cc2F)cc1
InChIInChI=1S/C15H14FNO3/c1-19-15(18)11-4-2-10(3-5-11)9-20-14-7-6-12(17)8-13(14)16/h2-8H,9,17H2,1H3
InChIKeyDOGOZRHRHUJGFK-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.77
Rot. Bonds4

About methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate

methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate (PubChem CID 43259245) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
PubChem CID43259245
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(N)cc2F)cc1
InChIInChI=1S/C15H14FNO3/c1-19-15(18)11-4-2-10(3-5-11)9-20-14-7-6-12(17)8-13(14)16/h2-8H,9,17H2,1H3
InChIKeyDOGOZRHRHUJGFK-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
methyl 5-amino-2-[(4-bromophenyl)methoxy]benzoate
CID 82824196
methyl 4-amino-3-[(4-chloro-3-fluorophenyl)methoxy]benzoate
CID 107882843
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
methyl 3-amino-4-[(3,5-dimethylphenyl)methoxy]benzoate
CID 61029764
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate?
The IUPAC name of methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate (CID 43259245) is methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate is COC(=O)c1ccc(COc2ccc(N)cc2F)cc1.
What is the InChIKey of methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate?
The InChIKey is DOGOZRHRHUJGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-15(18)11-4-2-10(3-5-11)9-20-14-7-6-12(17)8-13(14)16/h2-8H,9,17H2,1H3.
What are the key properties of methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate?
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate has a molecular weight of 275.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate is sourced from PubChem (CID 43259245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).