2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol

C21H19NO2 — CID 135401385

IUPAC2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H19NO2/c23-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)21(24)17-11-5-2-6-12-17/h1-15,20-21,23-24H/b22-15+
InChIKeyBCYPKVNJMLMPFO-PXLXIMEGSA-N
MW317.39 g/mol
LogP4.29
Rot. Bonds5

About 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol

2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol (PubChem CID 135401385) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
PubChem CID135401385
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/C(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H19NO2/c23-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)21(24)17-11-5-2-6-12-17/h1-15,20-21,23-24H/b22-15+
InChIKeyBCYPKVNJMLMPFO-PXLXIMEGSA-N
XLogP4.29
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
The IUPAC name of 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol (CID 135401385) is 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol is Oc1ccccc1/C=N/C(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
The InChIKey is BCYPKVNJMLMPFO-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19NO2/c23-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)21(24)17-11-5-2-6-12-17/h1-15,20-21,23-24H/b22-15+.
What are the key properties of 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol has a molecular weight of 317.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol is sourced from PubChem (CID 135401385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).