2-amino-4-(3-aminophenyl)benzene-1,3-diol

C12H12N2O2 — CID 23082434

IUPAC2-amino-4-(3-aminophenyl)benzene-1,3-diol
SMILESNc1cccc(-c2ccc(O)c(N)c2O)c1
InChIInChI=1S/C12H12N2O2/c13-8-3-1-2-7(6-8)9-4-5-10(15)11(14)12(9)16/h1-6,15-16H,13-14H2
InChIKeyLZOYXCYHDOVYAX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.93
Rot. Bonds1

About 2-amino-4-(3-aminophenyl)benzene-1,3-diol

2-amino-4-(3-aminophenyl)benzene-1,3-diol (PubChem CID 23082434) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-4-(3-aminophenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-amino-4-(3-aminophenyl)benzene-1,3-diol
PubChem CID23082434
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-amino-4-(3-aminophenyl)benzene-1,3-diol
SMILESNc1cccc(-c2ccc(O)c(N)c2O)c1
InChIInChI=1S/C12H12N2O2/c13-8-3-1-2-7(6-8)9-4-5-10(15)11(14)12(9)16/h1-6,15-16H,13-14H2
InChIKeyLZOYXCYHDOVYAX-UHFFFAOYSA-N
XLogP1.93
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Dihydroxybenzidine
CID 16918
2-Amino-4-phenylphenol
CID 14562
2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
CID 632603
2,2-Bis(3-amino-4-hydroxylphenyl)propane
CID 223319
2-Amino-4-isopropylphenol
CID 662440
5-Amino-2,4-dihydroxy-alpha-methylphenylethylamine
CID 129444
2-Amino-4-sec-butylphenol
CID 100028
3,3'-Diamino-[1,1'-biphenyl]-4,4'-diol
CID 612294
2-Amino-4-((3-amino-4-hydroxyphenyl)methyl)phenol
CID 138746
4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol
CID 15284795
2-Amino-4-cyclohexylphenol
CID 3679277
4-(3-Aminophenyl)phenol
CID 2756362

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-aminophenyl)benzene-1,3-diol?
The IUPAC name of 2-amino-4-(3-aminophenyl)benzene-1,3-diol (CID 23082434) is 2-amino-4-(3-aminophenyl)benzene-1,3-diol.
What is the SMILES notation for 2-amino-4-(3-aminophenyl)benzene-1,3-diol?
The canonical SMILES for 2-amino-4-(3-aminophenyl)benzene-1,3-diol is Nc1cccc(-c2ccc(O)c(N)c2O)c1.
What is the InChIKey of 2-amino-4-(3-aminophenyl)benzene-1,3-diol?
The InChIKey is LZOYXCYHDOVYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-8-3-1-2-7(6-8)9-4-5-10(15)11(14)12(9)16/h1-6,15-16H,13-14H2.
What are the key properties of 2-amino-4-(3-aminophenyl)benzene-1,3-diol?
2-amino-4-(3-aminophenyl)benzene-1,3-diol has a molecular weight of 216.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-aminophenyl)benzene-1,3-diol is sourced from PubChem (CID 23082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).