azanium 2-phenylphenolate

C12H13NO — CID 70290125

IUPACazanium 2-phenylphenolate
SMILES[NH4+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.H3N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H3
InChIKeyWTPWCIBYJWGZHI-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.80
Rot. Bonds1

About azanium 2-phenylphenolate

azanium 2-phenylphenolate (PubChem CID 70290125) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is azanium 2-phenylphenolate.

Molecular Properties

Compound Nameazanium 2-phenylphenolate
PubChem CID70290125
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Nameazanium 2-phenylphenolate
SMILES[NH4+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.H3N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H3
InChIKeyWTPWCIBYJWGZHI-UHFFFAOYSA-N
XLogP2.80
TPSA59.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

copper bis(2-phenylphenolate)
CID 69349474
iron(2+);bis(2-phenylphenolate)
CID 158924180
potassium 2-phenylphenolate
CID 23686122
disodium;hydrogen carbonate;2-phenylphenolate
CID 159083163
sodium 2-(4-ethenylphenyl)phenolate
CID 142700332
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
CID 69011285
CID 69011285
zinc;2,6-diphenylphenolate;ethane
CID 160596418
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
pentakis(benzene-1,2-diolate);bis(tantalum(5+))
CID 131730579
dilithium;benzene-1,2-diolate
CID 12557529
phosphanium 2,3,4,5-tetraphenylphenolate
CID 87286180

Frequently Asked Questions

What is the IUPAC name of azanium 2-phenylphenolate?
The IUPAC name of azanium 2-phenylphenolate (CID 70290125) is azanium 2-phenylphenolate.
What is the SMILES notation for azanium 2-phenylphenolate?
The canonical SMILES for azanium 2-phenylphenolate is [NH4+].[O-]c1ccccc1-c1ccccc1.
What is the InChIKey of azanium 2-phenylphenolate?
The InChIKey is WTPWCIBYJWGZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.H3N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H3.
What are the key properties of azanium 2-phenylphenolate?
azanium 2-phenylphenolate has a molecular weight of 187.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-phenylphenolate is sourced from PubChem (CID 70290125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).