(4-methoxyphenyl)azanium iodide

C7H10INO — CID 139080030

IUPAC(4-methoxyphenyl)azanium iodide
SMILESCOc1ccc([NH3+])cc1.[I-]
InChIInChI=1S/C7H9NO.HI/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKeyQRFXELVDJSDWHX-UHFFFAOYSA-N
MW251.07 g/mol
LogP-2.43
Rot. Bonds1

About (4-methoxyphenyl)azanium iodide

(4-methoxyphenyl)azanium iodide (PubChem CID 139080030) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is (4-methoxyphenyl)azanium iodide.

Molecular Properties

Compound Name(4-methoxyphenyl)azanium iodide
PubChem CID139080030
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name(4-methoxyphenyl)azanium iodide
SMILESCOc1ccc([NH3+])cc1.[I-]
InChIInChI=1S/C7H9NO.HI/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
InChIKeyQRFXELVDJSDWHX-UHFFFAOYSA-N
XLogP-2.43
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 5-2.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
CID 14687696
CID 14687696
1-(113C)methoxy-4-methylbenzene
CID 166176950
(4-methoxyphenyl) nitrite
CID 118559618
CID 154175564
CID 154175564
(4-methoxyphenyl)silane
CID 100998160
CID 12607295
CID 12607295
CID 102373172
CID 102373172
ethane;4-methoxyaniline
CID 144603339
tetrakis(4-methoxyphenyl)plumbane
CID 5092827
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
methane;4-methoxyphenol
CID 159494332

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)azanium iodide?
The IUPAC name of (4-methoxyphenyl)azanium iodide (CID 139080030) is (4-methoxyphenyl)azanium iodide.
What is the SMILES notation for (4-methoxyphenyl)azanium iodide?
The canonical SMILES for (4-methoxyphenyl)azanium iodide is COc1ccc([NH3+])cc1.[I-].
What is the InChIKey of (4-methoxyphenyl)azanium iodide?
The InChIKey is QRFXELVDJSDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.HI/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H.
What are the key properties of (4-methoxyphenyl)azanium iodide?
(4-methoxyphenyl)azanium iodide has a molecular weight of 251.07 g/mol, XLogP of -2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)azanium iodide is sourced from PubChem (CID 139080030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).