ethyl 2-(hydroxyamino)-5-phenoxybenzoate

C15H15NO4 — CID 90258346

IUPACethyl 2-(hydroxyamino)-5-phenoxybenzoate
SMILESCCOC(=O)c1cc(Oc2ccccc2)ccc1NO
InChIInChI=1S/C15H15NO4/c1-2-19-15(17)13-10-12(8-9-14(13)16-18)20-11-6-4-3-5-7-11/h3-10,16,18H,2H2,1H3
InChIKeyGLGSRTHTDXJWNC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.46
Rot. Bonds5

About ethyl 2-(hydroxyamino)-5-phenoxybenzoate

ethyl 2-(hydroxyamino)-5-phenoxybenzoate (PubChem CID 90258346) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-(hydroxyamino)-5-phenoxybenzoate.

Molecular Properties

Compound Nameethyl 2-(hydroxyamino)-5-phenoxybenzoate
PubChem CID90258346
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-(hydroxyamino)-5-phenoxybenzoate
SMILESCCOC(=O)c1cc(Oc2ccccc2)ccc1NO
InChIInChI=1S/C15H15NO4/c1-2-19-15(17)13-10-12(8-9-14(13)16-18)20-11-6-4-3-5-7-11/h3-10,16,18H,2H2,1H3
InChIKeyGLGSRTHTDXJWNC-UHFFFAOYSA-N
XLogP3.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
CID 109010741
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-6-phenoxyquinoline-3-carboxylate
CID 1188199
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxyamino)-5-phenoxybenzoate?
The IUPAC name of ethyl 2-(hydroxyamino)-5-phenoxybenzoate (CID 90258346) is ethyl 2-(hydroxyamino)-5-phenoxybenzoate.
What is the SMILES notation for ethyl 2-(hydroxyamino)-5-phenoxybenzoate?
The canonical SMILES for ethyl 2-(hydroxyamino)-5-phenoxybenzoate is CCOC(=O)c1cc(Oc2ccccc2)ccc1NO.
What is the InChIKey of ethyl 2-(hydroxyamino)-5-phenoxybenzoate?
The InChIKey is GLGSRTHTDXJWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-19-15(17)13-10-12(8-9-14(13)16-18)20-11-6-4-3-5-7-11/h3-10,16,18H,2H2,1H3.
What are the key properties of ethyl 2-(hydroxyamino)-5-phenoxybenzoate?
ethyl 2-(hydroxyamino)-5-phenoxybenzoate has a molecular weight of 273.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxyamino)-5-phenoxybenzoate is sourced from PubChem (CID 90258346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).