4-methoxy-2-nitro-1-phenylbenzene

C13H11NO3 — CID 11401937

IUPAC4-methoxy-2-nitro-1-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11NO3/c1-17-11-7-8-12(13(9-11)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyNJWRQRNSXPDHMJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.27
Rot. Bonds3

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

4-methoxy-2-nitro-1-phenylbenzene (PubChem CID 11401937) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-methoxy-2-nitro-1-phenylbenzene.

Molecular Properties

Compound Name4-methoxy-2-nitro-1-phenylbenzene
PubChem CID11401937
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-methoxy-2-nitro-1-phenylbenzene
SMILESCOc1ccc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11NO3/c1-17-11-7-8-12(13(9-11)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyNJWRQRNSXPDHMJ-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

4-ethoxy-2-nitro-1-phenylbenzene
CID 165358913
2-fluoro-5-methoxy-1-nitro-3-phenylbenzene
CID 91554743
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
3-nitro-4-phenylaniline
CID 19386766
2-methoxy-5-nitro-4-phenylphenol
CID 134907742
4-methoxy-2-nitro-1-phenylselanylbenzene
CID 141490695
3-(4-methoxy-2-nitrophenyl)chromen-4-one
CID 122463872
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
4-(2-nitro-4-phenylmethoxyphenyl)phenol
CID 66934266
2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione
CID 619974

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-1-phenylbenzene?
The IUPAC name of 4-methoxy-2-nitro-1-phenylbenzene (CID 11401937) is 4-methoxy-2-nitro-1-phenylbenzene.
What is the SMILES notation for 4-methoxy-2-nitro-1-phenylbenzene?
The canonical SMILES for 4-methoxy-2-nitro-1-phenylbenzene is COc1ccc(-c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-1-phenylbenzene?
The InChIKey is NJWRQRNSXPDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-11-7-8-12(13(9-11)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 4-methoxy-2-nitro-1-phenylbenzene?
4-methoxy-2-nitro-1-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 4-methoxy-2-nitro-1-phenylbenzene is sourced from PubChem (CID 11401937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).