2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate

C18H12O7P-3 — CID 102466013

IUPAC2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate
SMILES[O-]c1ccccc1O[P+]([O-])(Oc1ccccc1[O-])Oc1ccccc1[O-]
InChIInChI=1S/C18H15O7P/c19-13-7-1-4-10-16(13)23-26(22,24-17-11-5-2-8-14(17)20)25-18-12-6-3-9-15(18)21/h1-12,19-21H/p-3
InChIKeyVYIZLBQQWWQAGY-UHFFFAOYSA-K
MW371.26 g/mol
LogP1.48
Rot. Bonds6

About 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate

2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate (PubChem CID 102466013) has the molecular formula C18H12O7P-3 and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate.

Molecular Properties

Compound Name2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate
PubChem CID102466013
Molecular FormulaC18H12O7P-3
Molecular Weight371.26 g/mol
Exact Mass371.03
IUPAC Name2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate
SMILES[O-]c1ccccc1O[P+]([O-])(Oc1ccccc1[O-])Oc1ccccc1[O-]
InChIInChI=1S/C18H15O7P/c19-13-7-1-4-10-16(13)23-26(22,24-17-11-5-2-8-14(17)20)25-18-12-6-3-9-15(18)21/h1-12,19-21H/p-3
InChIKeyVYIZLBQQWWQAGY-UHFFFAOYSA-K
XLogP1.48
TPSA119.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

cesium 2-methoxyphenolate
CID 23674354
sodium 2-ethoxyphenolate
CID 23671657
pentakis(benzene-1,2-diolate);bis(tantalum(5+))
CID 131730579
dilithium;benzene-1,2-diolate
CID 12557529
2-(12-bromododecoxy)phenolate
CID 100985247
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1,2-bis(trioxidanyl)benzene
CID 142903582
sodium 2-hydroxyphenolate
CID 23688911
zinc;benzene-1,2-diol;benzene-1,2-diolate
CID 157183877
calcium bis(2-propan-2-ylphenolate)
CID 21315928
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
1-(2-fluorophenoxy)ethanethiol
CID 166973393

Frequently Asked Questions

What is the IUPAC name of 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate?
The IUPAC name of 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate (CID 102466013) is 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate.
What is the SMILES notation for 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate?
The canonical SMILES for 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate is [O-]c1ccccc1O[P+]([O-])(Oc1ccccc1[O-])Oc1ccccc1[O-].
What is the InChIKey of 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate?
The InChIKey is VYIZLBQQWWQAGY-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H15O7P/c19-13-7-1-4-10-16(13)23-26(22,24-17-11-5-2-8-14(17)20)25-18-12-6-3-9-15(18)21/h1-12,19-21H/p-3.
What are the key properties of 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate?
2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate has a molecular weight of 371.26 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxido-bis(2-oxidophenoxy)phosphaniumyl]oxyphenolate is sourced from PubChem (CID 102466013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).