1-methoxy-4-nitrosobenzene

C7H7NO2 — CID 15197

IUPAC1-methoxy-4-nitrosobenzene
SMILESCOc1ccc(N=O)cc1
InChIInChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3
InChIKeyRIOSDPIZGIWNMS-UHFFFAOYSA-N
MW137.14 g/mol
LogP2.09
Rot. Bonds2

About 1-methoxy-4-nitrosobenzene

1-methoxy-4-nitrosobenzene (PubChem CID 15197) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-methoxy-4-nitrosobenzene.

Molecular Properties

Compound Name1-methoxy-4-nitrosobenzene
PubChem CID15197
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name1-methoxy-4-nitrosobenzene
SMILESCOc1ccc(N=O)cc1
InChIInChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3
InChIKeyRIOSDPIZGIWNMS-UHFFFAOYSA-N
XLogP2.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

P-Anisidine
CID 7732
2-Nitroanisole
CID 7048
4-Ethoxyaniline
CID 9076
2,4-Dinitroanisole
CID 8385
4-Nitrosophenol
CID 7729
4-Nitroanisole
CID 7485
p-nitrophenol sodium salt
CID 13214
4-Hexyloxyaniline
CID 38360
2-((4-Nitrophenoxy)methyl)oxirane
CID 21327
4-Nitrophenetol
CID 7495
2,4,6-Trinitroanisole
CID 11817
4-Nitrophenyl Acetate
CID 13243

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-nitrosobenzene?
The IUPAC name of 1-methoxy-4-nitrosobenzene (CID 15197) is 1-methoxy-4-nitrosobenzene.
What is the SMILES notation for 1-methoxy-4-nitrosobenzene?
The canonical SMILES for 1-methoxy-4-nitrosobenzene is COc1ccc(N=O)cc1.
What is the InChIKey of 1-methoxy-4-nitrosobenzene?
The InChIKey is RIOSDPIZGIWNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3.
What are the key properties of 1-methoxy-4-nitrosobenzene?
1-methoxy-4-nitrosobenzene has a molecular weight of 137.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-nitrosobenzene is sourced from PubChem (CID 15197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).