(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium

C16H16N2O3PS+ — CID 59558286

IUPAC(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
SMILESCOc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H16N2O3PS/c1-18(17-11-13-3-7-15(20-2)8-4-13)22(23)21-16-9-5-14(12-19)6-10-16/h3-12H,1-2H3/q+1/b17-11+
InChIKeyXMFHSCFWWXMFFB-GZTJUZNOSA-N
MW347.36 g/mol
LogP3.63
Rot. Bonds7

About (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium

(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium (PubChem CID 59558286) has the molecular formula C16H16N2O3PS+ and a molecular weight of 347.36 g/mol. Its IUPAC name is (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium.

Molecular Properties

Compound Name(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
PubChem CID59558286
Molecular FormulaC16H16N2O3PS+
Molecular Weight347.36 g/mol
Exact Mass347.06
IUPAC Name(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium
SMILESCOc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C16H16N2O3PS/c1-18(17-11-13-3-7-15(20-2)8-4-13)22(23)21-16-9-5-14(12-19)6-10-16/h3-12H,1-2H3/q+1/b17-11+
InChIKeyXMFHSCFWWXMFFB-GZTJUZNOSA-N
XLogP3.63
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium?
The IUPAC name of (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium (CID 59558286) is (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium.
What is the SMILES notation for (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium?
The canonical SMILES for (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium is COc1ccc(/C=N/N(C)[P+](=S)Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium?
The InChIKey is XMFHSCFWWXMFFB-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O3PS/c1-18(17-11-13-3-7-15(20-2)8-4-13)22(23)21-16-9-5-14(12-19)6-10-16/h3-12H,1-2H3/q+1/b17-11+.
What are the key properties of (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium?
(4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium has a molecular weight of 347.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenoxy)-[[(E)-(4-methoxyphenyl)methylideneamino]-methylamino]-sulfanylidenephosphanium is sourced from PubChem (CID 59558286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).