(3-nitrophenyl) 2-(2-chlorophenoxy)acetate

C14H10ClNO5 — CID 4810670

IUPAC(3-nitrophenyl) 2-(2-chlorophenoxy)acetate
SMILESO=C(COc1ccccc1Cl)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO5/c15-12-6-1-2-7-13(12)20-9-14(17)21-11-5-3-4-10(8-11)16(18)19/h1-8H,9H2
InChIKeyDFSKXTDUYSEWBJ-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.23
Rot. Bonds5

About (3-nitrophenyl) 2-(2-chlorophenoxy)acetate

(3-nitrophenyl) 2-(2-chlorophenoxy)acetate (PubChem CID 4810670) has the molecular formula C14H10ClNO5 and a molecular weight of 307.69 g/mol. Its IUPAC name is (3-nitrophenyl) 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name(3-nitrophenyl) 2-(2-chlorophenoxy)acetate
PubChem CID4810670
Molecular FormulaC14H10ClNO5
Molecular Weight307.69 g/mol
Exact Mass307.02
IUPAC Name(3-nitrophenyl) 2-(2-chlorophenoxy)acetate
SMILESO=C(COc1ccccc1Cl)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClNO5/c15-12-6-1-2-7-13(12)20-9-14(17)21-11-5-3-4-10(8-11)16(18)19/h1-8H,9H2
InChIKeyDFSKXTDUYSEWBJ-UHFFFAOYSA-N
XLogP3.23
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.23
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[[amino-(3-nitrophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate
CID 2869264
(3-nitrophenyl) 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 7926068
bis(3-nitrophenyl) hexanedioate
CID 139641795
(3-nitrophenyl) 2-benzhydryloxyacetate
CID 19020264
(3-nitrophenyl) 2-(3,4-dichlorophenyl)acetate
CID 4810664
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
(3-nitrophenyl) 2-(4-chlorophenyl)acetate
CID 4810665
(2-chloro-4-nitrophenyl) 2-(3-bromophenoxy)acetate
CID 8881641
(4-chloro-3-ethylphenyl) 2-(2-nitrophenoxy)acetate
CID 8920644
1,3-benzodioxol-5-yl 2-(2-chlorophenoxy)acetate
CID 8766455
2-chloro-4-nitro-1-[2-(3-nitrophenoxy)ethoxy]benzene
CID 52617910
2-chloro-N-[2-[[2-(3-nitrophenoxy)acetyl]amino]ethyl]benzamide
CID 55659202

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl) 2-(2-chlorophenoxy)acetate?
The IUPAC name of (3-nitrophenyl) 2-(2-chlorophenoxy)acetate (CID 4810670) is (3-nitrophenyl) 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for (3-nitrophenyl) 2-(2-chlorophenoxy)acetate?
The canonical SMILES for (3-nitrophenyl) 2-(2-chlorophenoxy)acetate is O=C(COc1ccccc1Cl)Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitrophenyl) 2-(2-chlorophenoxy)acetate?
The InChIKey is DFSKXTDUYSEWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO5/c15-12-6-1-2-7-13(12)20-9-14(17)21-11-5-3-4-10(8-11)16(18)19/h1-8H,9H2.
What are the key properties of (3-nitrophenyl) 2-(2-chlorophenoxy)acetate?
(3-nitrophenyl) 2-(2-chlorophenoxy)acetate has a molecular weight of 307.69 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl) 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 4810670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).