1-methoxy-3-(2-nitrophenyl)propan-2-one

C10H11NO4 — CID 63198880

IUPAC1-methoxy-3-(2-nitrophenyl)propan-2-one
SMILESCOCC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO4/c1-15-7-9(12)6-8-4-2-3-5-10(8)11(13)14/h2-5H,6-7H2,1H3
InChIKeyKCCDUEFEDLMHDN-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.35
Rot. Bonds5

About 1-methoxy-3-(2-nitrophenyl)propan-2-one

1-methoxy-3-(2-nitrophenyl)propan-2-one (PubChem CID 63198880) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-methoxy-3-(2-nitrophenyl)propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-(2-nitrophenyl)propan-2-one
PubChem CID63198880
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-methoxy-3-(2-nitrophenyl)propan-2-one
SMILESCOCC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO4/c1-15-7-9(12)6-8-4-2-3-5-10(8)11(13)14/h2-5H,6-7H2,1H3
InChIKeyKCCDUEFEDLMHDN-UHFFFAOYSA-N
XLogP1.35
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 2-(2-nitrophenyl)acetate
CID 520464
1-(5-chloro-2-nitrophenyl)-3-methoxypropan-2-one
CID 115472034
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
1-methoxy-3-(5-nitroquinolin-8-yl)propan-2-one
CID 55163350
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
methanol;(2-nitrophenyl)methanol
CID 70046885
1-methoxy-3-(3-methoxy-4-nitrophenyl)propan-2-one
CID 63677101
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-nitrophenyl)propan-2-one?
The IUPAC name of 1-methoxy-3-(2-nitrophenyl)propan-2-one (CID 63198880) is 1-methoxy-3-(2-nitrophenyl)propan-2-one.
What is the SMILES notation for 1-methoxy-3-(2-nitrophenyl)propan-2-one?
The canonical SMILES for 1-methoxy-3-(2-nitrophenyl)propan-2-one is COCC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-methoxy-3-(2-nitrophenyl)propan-2-one?
The InChIKey is KCCDUEFEDLMHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-7-9(12)6-8-4-2-3-5-10(8)11(13)14/h2-5H,6-7H2,1H3.
What are the key properties of 1-methoxy-3-(2-nitrophenyl)propan-2-one?
1-methoxy-3-(2-nitrophenyl)propan-2-one has a molecular weight of 209.20 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-nitrophenyl)propan-2-one is sourced from PubChem (CID 63198880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).