methyl 5-amino-2-phenoxybenzoate

C14H13NO3 — CID 23019285

IUPACmethyl 5-amino-2-phenoxybenzoate
SMILESCOC(=O)c1cc(N)ccc1Oc1ccccc1
InChIInChI=1S/C14H13NO3/c1-17-14(16)12-9-10(15)7-8-13(12)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKeyMHAZEXGQGPSXRT-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.85
Rot. Bonds3

About methyl 5-amino-2-phenoxybenzoate

methyl 5-amino-2-phenoxybenzoate (PubChem CID 23019285) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 5-amino-2-phenoxybenzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-phenoxybenzoate
PubChem CID23019285
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 5-amino-2-phenoxybenzoate
SMILESCOC(=O)c1cc(N)ccc1Oc1ccccc1
InChIInChI=1S/C14H13NO3/c1-17-14(16)12-9-10(15)7-8-13(12)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3
InChIKeyMHAZEXGQGPSXRT-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 5-amino-2-(3,5-difluorophenoxy)benzoate
CID 62783761
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
methyl 5-amino-2-(2-bromophenoxy)benzoate
CID 61305622
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194
methyl 5-amino-2-iodooxybenzoate
CID 170212136
methyl 5-amino-2-(1-phenylethoxy)benzoate
CID 61306335
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744
2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
CID 106955759

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-phenoxybenzoate?
The IUPAC name of methyl 5-amino-2-phenoxybenzoate (CID 23019285) is methyl 5-amino-2-phenoxybenzoate.
What is the SMILES notation for methyl 5-amino-2-phenoxybenzoate?
The canonical SMILES for methyl 5-amino-2-phenoxybenzoate is COC(=O)c1cc(N)ccc1Oc1ccccc1.
What is the InChIKey of methyl 5-amino-2-phenoxybenzoate?
The InChIKey is MHAZEXGQGPSXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-14(16)12-9-10(15)7-8-13(12)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3.
What are the key properties of methyl 5-amino-2-phenoxybenzoate?
methyl 5-amino-2-phenoxybenzoate 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 5-amino-2-phenoxybenzoate is sourced from PubChem (CID 23019285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).