2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate

C17H15NO5 — CID 2543840

IUPAC2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])OCCOc1ccccc1
InChIInChI=1S/C17H15NO5/c19-17(23-13-12-22-15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18(20)21/h1-11H,12-13H2/b11-10+
InChIKeyRJOBQXLHDXSIOE-ZHACJKMWSA-N
MW313.31 g/mol
LogP3.23
Rot. Bonds7

About 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate

2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate (PubChem CID 2543840) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Name2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate
PubChem CID2543840
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])OCCOc1ccccc1
InChIInChI=1S/C17H15NO5/c19-17(23-13-12-22-15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18(20)21/h1-11H,12-13H2/b11-10+
InChIKeyRJOBQXLHDXSIOE-ZHACJKMWSA-N
XLogP3.23
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenoxyethyl 3-(2-chlorophenyl)prop-2-enoate
CID 4980822
(E)-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 26676963
phenacyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2346607
(4-methoxyphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 16961147
tert-butyl (Z)-3-(2-nitrophenyl)prop-2-enoate
CID 97303826
(2-ethoxyphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 8605194
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415
2-(4-sulfamoylphenoxy)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285858
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2367604
2-trimethylsilylethyl 5-(2-nitrophenyl)-3-oxopent-4-enoate
CID 70036180

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate?
The IUPAC name of 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate (CID 2543840) is 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate.
What is the SMILES notation for 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate?
The canonical SMILES for 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate is O=C(/C=C/c1ccccc1[N+](=O)[O-])OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate?
The InChIKey is RJOBQXLHDXSIOE-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15NO5/c19-17(23-13-12-22-15-7-2-1-3-8-15)11-10-14-6-4-5-9-16(14)18(20)21/h1-11H,12-13H2/b11-10+.
What are the key properties of 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate?
2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate has a molecular weight of 313.31 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl (E)-3-(2-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 2543840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).