5-amino-2-(4-amino-3-hydroxyphenoxy)phenol

C12H12N2O3 — CID 66776227

IUPAC5-amino-2-(4-amino-3-hydroxyphenoxy)phenol
SMILESNc1ccc(Oc2ccc(N)c(O)c2)c(O)c1
InChIInChI=1S/C12H12N2O3/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6,15-16H,13-14H2
InChIKeyIAWPOTCZNJRTAM-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.05
Rot. Bonds2

About 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol

5-amino-2-(4-amino-3-hydroxyphenoxy)phenol (PubChem CID 66776227) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name5-amino-2-(4-amino-3-hydroxyphenoxy)phenol
PubChem CID66776227
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-amino-2-(4-amino-3-hydroxyphenoxy)phenol
SMILESNc1ccc(Oc2ccc(N)c(O)c2)c(O)c1
InChIInChI=1S/C12H12N2O3/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6,15-16H,13-14H2
InChIKeyIAWPOTCZNJRTAM-UHFFFAOYSA-N
XLogP2.05
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-diaminophenoxy)phenol
CID 19971372
4-(3,4-dihydroxyphenoxy)benzene-1,3-diol
CID 19427119
2-amino-5-[2-(4-amino-3-hydroxyphenoxy)-3,4,5,6-tetrafluorophenoxy]phenol
CID 139971174
4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
CID 147971666
3-[2-amino-5-(4-aminophenoxy)phenyl]-4-[4-(4-aminophenoxy)phenoxy]aniline
CID 166903541
2,3-bis(4-amino-3-hydroxyphenoxy)benzoic acid
CID 141051376
2-amino-5-[3-(4-amino-3-hydroxyphenoxy)-2,4-bis(2-phenylethynyl)phenoxy]phenol
CID 139999367
3,5-bis(4-amino-3-hydroxyphenoxy)benzoic acid;hydrochloride
CID 141051377
2-[6-(2-hydroxyphenoxy)naphthalen-2-yl]oxyphenol
CID 175775609
2-amino-5-[[5'-(4-amino-3-hydroxyphenoxy)-1,1,1',1',6,6'-hexamethyl-3,3'-spirobi[2H-indene]-5-yl]oxy]phenol
CID 161312466
2,5-diaminophenol;2-methylbenzene-1,3-diamine
CID 161250673
2-amino-5-[1-(4-aminophenoxy)propoxy]phenol
CID 90980349

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol?
The IUPAC name of 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol (CID 66776227) is 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol.
What is the SMILES notation for 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol?
The canonical SMILES for 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol is Nc1ccc(Oc2ccc(N)c(O)c2)c(O)c1.
What is the InChIKey of 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol?
The InChIKey is IAWPOTCZNJRTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6,15-16H,13-14H2.
What are the key properties of 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol?
5-amino-2-(4-amino-3-hydroxyphenoxy)phenol has a molecular weight of 232.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3-hydroxyphenoxy)phenol is sourced from PubChem (CID 66776227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).