(4-methoxy-2-nitrophenyl) propanoate

C10H11NO5 — CID 58225888

IUPAC(4-methoxy-2-nitrophenyl) propanoate
SMILESCCC(=O)Oc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO5/c1-3-10(12)16-9-5-4-7(15-2)6-8(9)11(13)14/h4-6H,3H2,1-2H3
InChIKeyIDPYJTDIXPQIOX-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.92
Rot. Bonds4

About (4-methoxy-2-nitrophenyl) propanoate

(4-methoxy-2-nitrophenyl) propanoate (PubChem CID 58225888) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (4-methoxy-2-nitrophenyl) propanoate.

Molecular Properties

Compound Name(4-methoxy-2-nitrophenyl) propanoate
PubChem CID58225888
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(4-methoxy-2-nitrophenyl) propanoate
SMILESCCC(=O)Oc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO5/c1-3-10(12)16-9-5-4-7(15-2)6-8(9)11(13)14/h4-6H,3H2,1-2H3
InChIKeyIDPYJTDIXPQIOX-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

3-nitro-4-propanoyloxybenzenesulfonic acid
CID 170621408
(4-ethoxyphenyl) 2-(4-methoxy-2-nitrophenoxy)acetate
CID 8886693
(4-methoxy-2-nitrophenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 55770633
O-(4-methoxy-2-nitrophenyl) N,N-dimethylcarbamothioate
CID 57156490
ethyl 2-(4-methoxy-2-nitrophenoxy)butanoate
CID 60656318
(2-amino-4-methoxyphenyl) propanoate
CID 163982026
(4-methoxy-2-nitrophenyl) 4-butoxy-3-methoxybenzoate
CID 55340600
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
(4-methoxy-2-nitrophenyl) 4-(methylsulfanylmethyl)benzoate
CID 55340689
2-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034
(4-methoxy-2-nitrophenyl) 2-iodobenzoate
CID 55340774
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-nitrophenyl) propanoate?
The IUPAC name of (4-methoxy-2-nitrophenyl) propanoate (CID 58225888) is (4-methoxy-2-nitrophenyl) propanoate.
What is the SMILES notation for (4-methoxy-2-nitrophenyl) propanoate?
The canonical SMILES for (4-methoxy-2-nitrophenyl) propanoate is CCC(=O)Oc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of (4-methoxy-2-nitrophenyl) propanoate?
The InChIKey is IDPYJTDIXPQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-3-10(12)16-9-5-4-7(15-2)6-8(9)11(13)14/h4-6H,3H2,1-2H3.
What are the key properties of (4-methoxy-2-nitrophenyl) propanoate?
(4-methoxy-2-nitrophenyl) propanoate has a molecular weight of 225.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-nitrophenyl) propanoate is sourced from PubChem (CID 58225888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).