2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol

C19H17NO3 — CID 21321347

IUPAC2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol
SMILESOc1cc(O)c(NCc2ccc(-c3ccccc3)cc2)c(O)c1
InChIInChI=1S/C19H17NO3/c21-16-10-17(22)19(18(23)11-16)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,20-23H,12H2
InChIKeyFPKPZUWNYZFGIK-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.08
Rot. Bonds4

About 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol

2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol (PubChem CID 21321347) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol
PubChem CID21321347
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol
SMILESOc1cc(O)c(NCc2ccc(-c3ccccc3)cc2)c(O)c1
InChIInChI=1S/C19H17NO3/c21-16-10-17(22)19(18(23)11-16)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,20-23H,12H2
InChIKeyFPKPZUWNYZFGIK-UHFFFAOYSA-N
XLogP4.08
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol?
The IUPAC name of 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol (CID 21321347) is 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol.
What is the SMILES notation for 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol?
The canonical SMILES for 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol is Oc1cc(O)c(NCc2ccc(-c3ccccc3)cc2)c(O)c1.
What is the InChIKey of 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol?
The InChIKey is FPKPZUWNYZFGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-16-10-17(22)19(18(23)11-16)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,20-23H,12H2.
What are the key properties of 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol?
2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol has a molecular weight of 307.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methylamino]benzene-1,3,5-triol is sourced from PubChem (CID 21321347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).