1-methoxy-2-nitro-4-phenylbenzene

C13H11NO3 — CID 615238

IUPAC1-methoxy-2-nitro-4-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHVYOIIIEAVPMCR-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.27
Rot. Bonds3

About 1-methoxy-2-nitro-4-phenylbenzene

1-methoxy-2-nitro-4-phenylbenzene (PubChem CID 615238) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methoxy-2-nitro-4-phenylbenzene.

Molecular Properties

Compound Name1-methoxy-2-nitro-4-phenylbenzene
PubChem CID615238
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-methoxy-2-nitro-4-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyHVYOIIIEAVPMCR-UHFFFAOYSA-N
XLogP3.27
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Fluorodifen
CID 27295
1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
3-Nitro(1,1'-biphenyl)-4-ol
CID 13447
1-Methylethyl 2-(4-methoxy(1,1'-biphenyl)-3-yl)diazenecarboxylate
CID 69250380
3,3'-Dinitrobisphenol A
CID 219958
3-Methyl-2-nitroanisole
CID 79291
trans-4'-Methoxy-4-nitrostilbene
CID 745105
4-(Chloromethyl)-2-nitroanisole
CID 80785
2-Nitro-4-trifluoromethylanisole
CID 96748
4-(1-Methylpropyl)-2-nitrophenol
CID 19085
5-Methyl-2-nitroanisole
CID 97455
4-(Bromomethyl)-1-methoxy-2-nitrobenzene
CID 11579648

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-nitro-4-phenylbenzene?
The IUPAC name of 1-methoxy-2-nitro-4-phenylbenzene (CID 615238) is 1-methoxy-2-nitro-4-phenylbenzene.
What is the SMILES notation for 1-methoxy-2-nitro-4-phenylbenzene?
The canonical SMILES for 1-methoxy-2-nitro-4-phenylbenzene is COc1ccc(-c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 1-methoxy-2-nitro-4-phenylbenzene?
The InChIKey is HVYOIIIEAVPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 1-methoxy-2-nitro-4-phenylbenzene?
1-methoxy-2-nitro-4-phenylbenzene has a molecular weight of 229.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-nitro-4-phenylbenzene is sourced from PubChem (CID 615238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).