(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol

C21H19NO2 — CID 11056216

IUPAC(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
SMILESO[C@H](/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-24-16-17-10-4-1-5-11-17/h1-15,21,23H,16H2/b22-20+/t21-/m0/s1
InChIKeyFPKILVLXDITFJD-MRJHHRETSA-N
MW317.39 g/mol
LogP4.34
Rot. Bonds6

About (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol

(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol (PubChem CID 11056216) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol.

Molecular Properties

Compound Name(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
PubChem CID11056216
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
SMILESO[C@H](/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-24-16-17-10-4-1-5-11-17/h1-15,21,23H,16H2/b22-20+/t21-/m0/s1
InChIKeyFPKILVLXDITFJD-MRJHHRETSA-N
XLogP4.34
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol?
The IUPAC name of (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol (CID 11056216) is (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol.
What is the SMILES notation for (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol?
The canonical SMILES for (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol is O[C@H](/C(=N/OCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol?
The InChIKey is FPKILVLXDITFJD-MRJHHRETSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-24-16-17-10-4-1-5-11-17/h1-15,21,23H,16H2/b22-20+/t21-/m0/s1.
What are the key properties of (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol?
(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol has a molecular weight of 317.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol is sourced from PubChem (CID 11056216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).