(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate

C16H15NO6 — CID 8913485

IUPAC(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO6/c1-21-14-4-2-3-5-15(14)22-11-16(18)23-10-12-6-8-13(9-7-12)17(19)20/h2-9H,10-11H2,1H3
InChIKeyNZWBMLIEWAPCHY-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.73
Rot. Bonds7

About (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate

(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate (PubChem CID 8913485) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate
PubChem CID8913485
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO6/c1-21-14-4-2-3-5-15(14)22-11-16(18)23-10-12-6-8-13(9-7-12)17(19)20/h2-9H,10-11H2,1H3
InChIKeyNZWBMLIEWAPCHY-UHFFFAOYSA-N
XLogP2.73
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
CID 31118216
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 18275421
(4-nitrophenyl)methyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525774
(3-nitrophenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539649
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
(4-nitrophenyl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 2454256
(4-nitrophenyl)methyl 3-methoxy-2-methylbenzoate
CID 140966954
(3,4-dimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate
CID 9097020
2-(2-methoxyphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 3321407
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
methyl 4-[[2-(2-ethoxyphenoxy)acetyl]oxymethyl]benzoate
CID 23856179
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate?
The IUPAC name of (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate (CID 8913485) is (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate?
The InChIKey is NZWBMLIEWAPCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-21-14-4-2-3-5-15(14)22-11-16(18)23-10-12-6-8-13(9-7-12)17(19)20/h2-9H,10-11H2,1H3.
What are the key properties of (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate?
(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate has a molecular weight of 317.30 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 8913485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).