ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate

C15H13NO5 — CID 11044381

IUPACethyl 3-(2-hydroxy-4-nitrophenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C15H13NO5/c1-2-21-15(18)11-5-3-4-10(8-11)13-7-6-12(16(19)20)9-14(13)17/h3-9,17H,2H2,1H3
InChIKeyOZIVDIRPIHLFRK-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.14
Rot. Bonds4

About ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate

ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate (PubChem CID 11044381) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxy-4-nitrophenyl)benzoate
PubChem CID11044381
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Nameethyl 3-(2-hydroxy-4-nitrophenyl)benzoate
SMILESCCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2O)c1
InChIInChI=1S/C15H13NO5/c1-2-21-15(18)11-5-3-4-10(8-11)13-7-6-12(16(19)20)9-14(13)17/h3-9,17H,2H2,1H3
InChIKeyOZIVDIRPIHLFRK-UHFFFAOYSA-N
XLogP3.14
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-nitrophenyl)-2-oxoethyl] 3-[3-[2-(4-nitrophenyl)-2-oxoethoxy]carbonylphenyl]benzoate
CID 3094936
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 7-nitronaphthalene-2-carboxylate
CID 171990152
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 3-(2-methylphenyl)benzoate
CID 161279352
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 4-(2-chloro-5-nitrophenyl)benzoate
CID 59822393
ethyl 3-(2-bromophenyl)benzoate
CID 58730981
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-methyl-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate
CID 10248079
3-(2-methyl-5-nitrophenyl)benzoic acid
CID 82039488

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate?
The IUPAC name of ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate (CID 11044381) is ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate.
What is the SMILES notation for ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate?
The canonical SMILES for ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate is CCOC(=O)c1cccc(-c2ccc([N+](=O)[O-])cc2O)c1.
What is the InChIKey of ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate?
The InChIKey is OZIVDIRPIHLFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-2-21-15(18)11-5-3-4-10(8-11)13-7-6-12(16(19)20)9-14(13)17/h3-9,17H,2H2,1H3.
What are the key properties of ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate?
ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate has a molecular weight of 287.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxy-4-nitrophenyl)benzoate is sourced from PubChem (CID 11044381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).