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

C12H12N2O3 — CID 800189

IUPAC2-amino-4-(3-amino-4-hydroxyphenoxy)phenol
SMILESNc1cc(Oc2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12N2O3/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2
InChIKeyUTYHQSKRFPHMQQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.05
Rot. Bonds2

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

2-amino-4-(3-amino-4-hydroxyphenoxy)phenol (PubChem CID 800189) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol.

Molecular Properties

Compound Name2-amino-4-(3-amino-4-hydroxyphenoxy)phenol
PubChem CID800189
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-amino-4-(3-amino-4-hydroxyphenoxy)phenol
SMILESNc1cc(Oc2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12N2O3/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2
InChIKeyUTYHQSKRFPHMQQ-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol?
The IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol (CID 800189) is 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol.
What is the SMILES notation for 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol?
The canonical SMILES for 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol is Nc1cc(Oc2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol?
The InChIKey is UTYHQSKRFPHMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-9-5-7(1-3-11(9)15)17-8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2.
What are the key properties of 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol?
2-amino-4-(3-amino-4-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 2-amino-4-(3-amino-4-hydroxyphenoxy)phenol is sourced from PubChem (CID 800189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).