(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium

C14H14N2O3 — CID 15277

IUPAC(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium
SMILESCOc1ccc(/N=[N+](\[O-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3/b16-15-
InChIKeyKAEZRSFWWCTVNP-NXVVXOECSA-N
MW258.28 g/mol
LogP3.63
Rot. Bonds4

About (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium

(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium (PubChem CID 15277) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium
PubChem CID15277
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium
SMILESCOc1ccc(/N=[N+](\[O-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3/b16-15-
InChIKeyKAEZRSFWWCTVNP-NXVVXOECSA-N
XLogP3.63
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium?
The IUPAC name of (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium (CID 15277) is (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium.
What is the SMILES notation for (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium?
The canonical SMILES for (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium is COc1ccc(/N=[N+](\[O-])c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium?
The InChIKey is KAEZRSFWWCTVNP-NXVVXOECSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3/b16-15-.
What are the key properties of (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium?
(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium has a molecular weight of 258.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium is sourced from PubChem (CID 15277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).