(4-methoxyphenyl) nitrite

C7H7NO3 — CID 118559618

IUPAC(4-methoxyphenyl) nitrite
SMILESCOc1ccc(ON=O)cc1
InChIInChI=1S/C7H7NO3/c1-10-6-2-4-7(5-3-6)11-8-9/h2-5H,1H3
InChIKeyRLPITXCFAWUOQM-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.76
Rot. Bonds3

About (4-methoxyphenyl) nitrite

(4-methoxyphenyl) nitrite (PubChem CID 118559618) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is (4-methoxyphenyl) nitrite.

Molecular Properties

Compound Name(4-methoxyphenyl) nitrite
PubChem CID118559618
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name(4-methoxyphenyl) nitrite
SMILESCOc1ccc(ON=O)cc1
InChIInChI=1S/C7H7NO3/c1-10-6-2-4-7(5-3-6)11-8-9/h2-5H,1H3
InChIKeyRLPITXCFAWUOQM-UHFFFAOYSA-N
XLogP1.76
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 12607295
CID 12607295
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
(4-methoxyphenyl)azanium iodide
CID 139080030
formyl chloride;1-methoxy-4-nitrosobenzene
CID 178153567
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-(4-methoxyphenyl)selenonylbenzene
CID 11771710
CID 136674675
CID 136674675
1,3-bis(4-methoxyphenyl)urea
CID 139045428
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432
(4-methoxyphenyl)-methyl-oxoazanium
CID 143688246
(4-methoxyphenyl)-methyldiazene
CID 20589170

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) nitrite?
The IUPAC name of (4-methoxyphenyl) nitrite (CID 118559618) is (4-methoxyphenyl) nitrite.
What is the SMILES notation for (4-methoxyphenyl) nitrite?
The canonical SMILES for (4-methoxyphenyl) nitrite is COc1ccc(ON=O)cc1.
What is the InChIKey of (4-methoxyphenyl) nitrite?
The InChIKey is RLPITXCFAWUOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-10-6-2-4-7(5-3-6)11-8-9/h2-5H,1H3.
What are the key properties of (4-methoxyphenyl) nitrite?
(4-methoxyphenyl) nitrite has a molecular weight of 153.14 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) nitrite is sourced from PubChem (CID 118559618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).