(5-methoxy-2-nitrophenyl)methyl acetate

C10H11NO5 — CID 70659279

IUPAC(5-methoxy-2-nitrophenyl)methyl acetate
SMILESCOc1ccc([N+](=O)[O-])c(COC(C)=O)c1
InChIInChI=1S/C10H11NO5/c1-7(12)16-6-8-5-9(15-2)3-4-10(8)11(13)14/h3-5H,6H2,1-2H3
InChIKeyZHLIBNSYVXGWJE-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.67
Rot. Bonds4

About (5-methoxy-2-nitrophenyl)methyl acetate

(5-methoxy-2-nitrophenyl)methyl acetate (PubChem CID 70659279) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (5-methoxy-2-nitrophenyl)methyl acetate.

Molecular Properties

Compound Name(5-methoxy-2-nitrophenyl)methyl acetate
PubChem CID70659279
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(5-methoxy-2-nitrophenyl)methyl acetate
SMILESCOc1ccc([N+](=O)[O-])c(COC(C)=O)c1
InChIInChI=1S/C10H11NO5/c1-7(12)16-6-8-5-9(15-2)3-4-10(8)11(13)14/h3-5H,6H2,1-2H3
InChIKeyZHLIBNSYVXGWJE-UHFFFAOYSA-N
XLogP1.67
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.67
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 (5-methoxy-2-nitrophenyl)methyl 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

2-[3-(acetyloxymethyl)-4-nitrophenoxy]acetic acid
CID 165176772
(5-methoxy-2-nitrophenyl)methyl (2R)-2-acetamido-3,3-dimethylbutanoate
CID 166335315
(5-acetamido-2-nitrophenyl)methyl acetate
CID 12004239
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
diethyl 2-[dideuterio-(5-methoxy-2-nitrophenyl)methyl]propanedioate
CID 59504548
(3-methoxy-4-nitrophenyl)methyl acetate
CID 91727983
ethane;5-methoxy-2-nitrophenol
CID 143133372
3-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol
CID 89442409
(3,4-dinitrophenyl)methyl acetate
CID 152629976
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
CID 3609489
2-bromo-N-(2-bromoethyl)-N-[(5-methoxy-2-nitrophenyl)methyl]ethanamine
CID 20976161
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-nitrophenyl)methyl acetate?
The IUPAC name of (5-methoxy-2-nitrophenyl)methyl acetate (CID 70659279) is (5-methoxy-2-nitrophenyl)methyl acetate.
What is the SMILES notation for (5-methoxy-2-nitrophenyl)methyl acetate?
The canonical SMILES for (5-methoxy-2-nitrophenyl)methyl acetate is COc1ccc([N+](=O)[O-])c(COC(C)=O)c1.
What is the InChIKey of (5-methoxy-2-nitrophenyl)methyl acetate?
The InChIKey is ZHLIBNSYVXGWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-7(12)16-6-8-5-9(15-2)3-4-10(8)11(13)14/h3-5H,6H2,1-2H3.
What are the key properties of (5-methoxy-2-nitrophenyl)methyl acetate?
(5-methoxy-2-nitrophenyl)methyl acetate has a molecular weight of 225.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-nitrophenyl)methyl acetate is sourced from PubChem (CID 70659279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).