1-(2-methoxyphenyl)-2-nitrobenzene

C13H11NO3 — CID 818687

IUPAC1-(2-methoxyphenyl)-2-nitrobenzene
SMILESCOc1ccccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11NO3/c1-17-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(15)16/h2-9H,1H3
InChIKeyLUAAEXWZEIXKHQ-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-methoxyphenyl)-2-nitrobenzene

1-(2-methoxyphenyl)-2-nitrobenzene (PubChem CID 818687) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-nitrobenzene
PubChem CID818687
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-(2-methoxyphenyl)-2-nitrobenzene
SMILESCOc1ccccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11NO3/c1-17-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(15)16/h2-9H,1H3
InChIKeyLUAAEXWZEIXKHQ-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

1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
CID 59843298
2-ethynyl-4-(2-methoxyphenyl)-1-nitrobenzene
CID 176548422
3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
6-(2-methoxyphenyl)-2-(methylamino)-3-nitrobenzonitrile
CID 59218653
1-[2,5-bis(2-methoxyphenyl)-4-nitrophenyl]propan-2-amine
CID 137354690
1-methoxy-4-(2-nitrophenyl)dibenzofuran
CID 170677127

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-nitrobenzene?
The IUPAC name of 1-(2-methoxyphenyl)-2-nitrobenzene (CID 818687) is 1-(2-methoxyphenyl)-2-nitrobenzene.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-nitrobenzene?
The canonical SMILES for 1-(2-methoxyphenyl)-2-nitrobenzene is COc1ccccc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxyphenyl)-2-nitrobenzene?
The InChIKey is LUAAEXWZEIXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14(15)16/h2-9H,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-nitrobenzene?
1-(2-methoxyphenyl)-2-nitrobenzene 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-(2-methoxyphenyl)-2-nitrobenzene is sourced from PubChem (CID 818687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).