methyl 2-(4-aminophenoxy)benzoate

C14H13NO3 — CID 2763848

IUPACmethyl 2-(4-aminophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1ccc(N)cc1
InChIInChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3
InChIKeyFXHKMQZPYDWTCS-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-(4-aminophenoxy)benzoate

methyl 2-(4-aminophenoxy)benzoate (PubChem CID 2763848) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-(4-aminophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-aminophenoxy)benzoate
PubChem CID2763848
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-(4-aminophenoxy)benzoate
SMILESCOC(=O)c1ccccc1Oc1ccc(N)cc1
InChIInChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3
InChIKeyFXHKMQZPYDWTCS-UHFFFAOYSA-N
XLogP2.85
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenoxy)benzoate?
The IUPAC name of methyl 2-(4-aminophenoxy)benzoate (CID 2763848) is methyl 2-(4-aminophenoxy)benzoate.
What is the SMILES notation for methyl 2-(4-aminophenoxy)benzoate?
The canonical SMILES for methyl 2-(4-aminophenoxy)benzoate is COC(=O)c1ccccc1Oc1ccc(N)cc1.
What is the InChIKey of methyl 2-(4-aminophenoxy)benzoate?
The InChIKey is FXHKMQZPYDWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3.
What are the key properties of methyl 2-(4-aminophenoxy)benzoate?
methyl 2-(4-aminophenoxy)benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenoxy)benzoate is sourced from PubChem (CID 2763848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).