sodium 4-(3-aminophenyl)phenolate

C12H10NNaO — CID 174384003

IUPACsodium 4-(3-aminophenyl)phenolate
SMILESNc1cccc(-c2ccc([O-])cc2)c1.[Na+]
InChIInChI=1S/C12H11NO.Na/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9;/h1-8,14H,13H2;/q;+1/p-1
InChIKeyJIILUHYFBGNHIU-UHFFFAOYSA-M
MW207.21 g/mol
LogP-0.99
Rot. Bonds1

About sodium 4-(3-aminophenyl)phenolate

sodium 4-(3-aminophenyl)phenolate (PubChem CID 174384003) has the molecular formula C12H10NNaO and a molecular weight of 207.21 g/mol. Its IUPAC name is sodium 4-(3-aminophenyl)phenolate.

Molecular Properties

Compound Namesodium 4-(3-aminophenyl)phenolate
PubChem CID174384003
Molecular FormulaC12H10NNaO
Molecular Weight207.21 g/mol
Exact Mass207.07
IUPAC Namesodium 4-(3-aminophenyl)phenolate
SMILESNc1cccc(-c2ccc([O-])cc2)c1.[Na+]
InChIInChI=1S/C12H11NO.Na/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9;/h1-8,14H,13H2;/q;+1/p-1
InChIKeyJIILUHYFBGNHIU-UHFFFAOYSA-M
XLogP-0.99
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)aniline;sulfane
CID 175159845
boric acid;3-phenylaniline
CID 175929728
3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline
CID 22394972
3-[4-(aminomethyl)phenyl]aniline
CID 1394417
3-(4-propan-2-ylphenyl)aniline
CID 28911760
trisodium;4-[3,5-bis(4-oxidophenyl)phenyl]phenolate
CID 139244618
3-(4-cyclohexylphenyl)aniline
CID 55198652
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
3-(3-chlorophenyl)aniline;hydrochloride
CID 2757424
benzene-1,3-diamine
CID 7935
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137

Frequently Asked Questions

What is the IUPAC name of sodium 4-(3-aminophenyl)phenolate?
The IUPAC name of sodium 4-(3-aminophenyl)phenolate (CID 174384003) is sodium 4-(3-aminophenyl)phenolate.
What is the SMILES notation for sodium 4-(3-aminophenyl)phenolate?
The canonical SMILES for sodium 4-(3-aminophenyl)phenolate is Nc1cccc(-c2ccc([O-])cc2)c1.[Na+].
What is the InChIKey of sodium 4-(3-aminophenyl)phenolate?
The InChIKey is JIILUHYFBGNHIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO.Na/c13-11-3-1-2-10(8-11)9-4-6-12(14)7-5-9;/h1-8,14H,13H2;/q;+1/p-1.
What are the key properties of sodium 4-(3-aminophenyl)phenolate?
sodium 4-(3-aminophenyl)phenolate has a molecular weight of 207.21 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(3-aminophenyl)phenolate is sourced from PubChem (CID 174384003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).