2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene

C14H13NO3 — CID 11550497

IUPAC2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
SMILESCOc1ccccc1-c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H13NO3/c1-10-7-8-11(15(16)17)9-13(10)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3
InChIKeyKVFFRNWCCPDJLV-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.58
Rot. Bonds3

About 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene

2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene (PubChem CID 11550497) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
PubChem CID11550497
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
SMILESCOc1ccccc1-c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H13NO3/c1-10-7-8-11(15(16)17)9-13(10)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3
InChIKeyKVFFRNWCCPDJLV-UHFFFAOYSA-N
XLogP3.58
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.58
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

1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
(2-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate
CID 26946746
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one
CID 59586699
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
CID 139793344
1-chloro-2-(2-ethoxyphenyl)-4-nitrobenzene
CID 91404265
2-chloro-6-(2-methoxyphenyl)-4-nitropyridine
CID 114070923

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene?
The IUPAC name of 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene (CID 11550497) is 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene?
The canonical SMILES for 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene is COc1ccccc1-c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene?
The InChIKey is KVFFRNWCCPDJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-7-8-11(15(16)17)9-13(10)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene?
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene has a molecular weight of 243.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene is sourced from PubChem (CID 11550497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).