[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium

C20H15N3O3P+ — CID 71113179

IUPAC[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium
SMILESO=[P+](Oc1cccc(-n2cc(-c3cccc(O)c3)nn2)c1)c1ccccc1
InChIInChI=1S/C20H14N3O3P/c24-17-8-4-6-15(12-17)20-14-23(22-21-20)16-7-5-9-18(13-16)26-27(25)19-10-2-1-3-11-19/h1-14H/p+1
InChIKeyZFBPTXAGVSVBIG-UHFFFAOYSA-O
MW376.33 g/mol
LogP4.09
Rot. Bonds5

About [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium

[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium (PubChem CID 71113179) has the molecular formula C20H15N3O3P+ and a molecular weight of 376.33 g/mol. Its IUPAC name is [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium
PubChem CID71113179
Molecular FormulaC20H15N3O3P+
Molecular Weight376.33 g/mol
Exact Mass376.08
IUPAC Name[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium
SMILESO=[P+](Oc1cccc(-n2cc(-c3cccc(O)c3)nn2)c1)c1ccccc1
InChIInChI=1S/C20H14N3O3P/c24-17-8-4-6-15(12-17)20-14-23(22-21-20)16-7-5-9-18(13-16)26-27(25)19-10-2-1-3-11-19/h1-14H/p+1
InChIKeyZFBPTXAGVSVBIG-UHFFFAOYSA-O
XLogP4.09
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium?
The IUPAC name of [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium (CID 71113179) is [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium.
What is the SMILES notation for [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium?
The canonical SMILES for [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium is O=[P+](Oc1cccc(-n2cc(-c3cccc(O)c3)nn2)c1)c1ccccc1.
What is the InChIKey of [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium?
The InChIKey is ZFBPTXAGVSVBIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H14N3O3P/c24-17-8-4-6-15(12-17)20-14-23(22-21-20)16-7-5-9-18(13-16)26-27(25)19-10-2-1-3-11-19/h1-14H/p+1.
What are the key properties of [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium?
[3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium has a molecular weight of 376.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-hydroxyphenyl)triazol-1-yl]phenoxy]-oxo-phenylphosphanium is sourced from PubChem (CID 71113179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).