(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate

C15H11Cl2NO5 — CID 1310079

IUPAC(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11Cl2NO5/c16-11-3-6-14(13(17)7-11)22-9-15(19)23-8-10-1-4-12(5-2-10)18(20)21/h1-7H,8-9H2
InChIKeyNAHSPNVTDXVXEO-UHFFFAOYSA-N
MW356.16 g/mol
LogP4.02
Rot. Bonds6

About (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate

(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 1310079) has the molecular formula C15H11Cl2NO5 and a molecular weight of 356.16 g/mol. Its IUPAC name is (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID1310079
Molecular FormulaC15H11Cl2NO5
Molecular Weight356.16 g/mol
Exact Mass355.00
IUPAC Name(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11Cl2NO5/c16-11-3-6-14(13(17)7-11)22-9-15(19)23-8-10-1-4-12(5-2-10)18(20)21/h1-7H,8-9H2
InChIKeyNAHSPNVTDXVXEO-UHFFFAOYSA-N
XLogP4.02
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 54.02
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'}

Analyze (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-nitrophenyl)methyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525774
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
[(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-[(2,4-dichlorophenoxy)methyl]benzoate
CID 19297987
(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 8913485
(4-chlorophenyl)methyl 2-(2-chlorophenoxy)acetate
CID 2378588
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308338
4-chloro-2-[(4-nitrophenyl)methoxy]benzoic acid
CID 45418753
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 7891622
(4-nitrophenyl) 2-(4-chloro-2-methylphenoxy)acetate
CID 832933
3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]propanehydrazide
CID 91686949

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate (CID 1310079) is (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate is O=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is NAHSPNVTDXVXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO5/c16-11-3-6-14(13(17)7-11)22-9-15(19)23-8-10-1-4-12(5-2-10)18(20)21/h1-7H,8-9H2.
What are the key properties of (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate?
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 356.16 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 1310079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).