4-(2,4-diaminophenoxy)phenol

C12H12N2O2 — CID 19971372

IUPAC4-(2,4-diaminophenoxy)phenol
SMILESNc1ccc(Oc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C12H12N2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H,13-14H2
InChIKeyHRZCEYYSMPXIPG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.35
Rot. Bonds2

About 4-(2,4-diaminophenoxy)phenol

4-(2,4-diaminophenoxy)phenol (PubChem CID 19971372) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2,4-diaminophenoxy)phenol.

Molecular Properties

Compound Name4-(2,4-diaminophenoxy)phenol
PubChem CID19971372
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(2,4-diaminophenoxy)phenol
SMILESNc1ccc(Oc2ccc(O)cc2)c(N)c1
InChIInChI=1S/C12H12N2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H,13-14H2
InChIKeyHRZCEYYSMPXIPG-UHFFFAOYSA-N
XLogP2.35
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminophenoxy)phenol?
The IUPAC name of 4-(2,4-diaminophenoxy)phenol (CID 19971372) is 4-(2,4-diaminophenoxy)phenol.
What is the SMILES notation for 4-(2,4-diaminophenoxy)phenol?
The canonical SMILES for 4-(2,4-diaminophenoxy)phenol is Nc1ccc(Oc2ccc(O)cc2)c(N)c1.
What is the InChIKey of 4-(2,4-diaminophenoxy)phenol?
The InChIKey is HRZCEYYSMPXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H,13-14H2.
What are the key properties of 4-(2,4-diaminophenoxy)phenol?
4-(2,4-diaminophenoxy)phenol has a molecular weight of 216.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminophenoxy)phenol is sourced from PubChem (CID 19971372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).