4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol

C13H14N2O2 — CID 10176981

IUPAC4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol
SMILESNc1ccc(O)c(Cc2cc(N)ccc2O)c1
InChIInChI=1S/C13H14N2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5,14-15H2
InChIKeyHLIGKHFHQXRAOX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.85
Rot. Bonds2

About 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol

4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol (PubChem CID 10176981) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol
PubChem CID10176981
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol
SMILESNc1ccc(O)c(Cc2cc(N)ccc2O)c1
InChIInChI=1S/C13H14N2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5,14-15H2
InChIKeyHLIGKHFHQXRAOX-UHFFFAOYSA-N
XLogP1.85
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol (CID 10176981) is 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol is Nc1ccc(O)c(Cc2cc(N)ccc2O)c1.
What is the InChIKey of 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol?
The InChIKey is HLIGKHFHQXRAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5,14-15H2.
What are the key properties of 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol?
4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol has a molecular weight of 230.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 10176981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).