2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol

C32H32N2O2 — CID 155247152

IUPAC2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol
SMILESOc1c(/C=N/[C@H]2CCCC[C@@H]2NCc2cccc(-c3ccccc3)c2O)cccc1-c1ccccc1
InChIInChI=1S/C32H32N2O2/c35-31-25(15-9-17-27(31)23-11-3-1-4-12-23)21-33-29-19-7-8-20-30(29)34-22-26-16-10-18-28(32(26)36)24-13-5-2-6-14-24/h1-6,9-18,21,29-30,34-36H,7-8,19-20,22H2/b33-21+/t29-,30-/m0/s1
InChIKeyRUQNEGRNWKGISC-KUVNRZIVSA-N
MW476.62 g/mol
LogP6.95
Rot. Bonds7

About 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol

2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol (PubChem CID 155247152) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol
PubChem CID155247152
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol
SMILESOc1c(/C=N/[C@H]2CCCC[C@@H]2NCc2cccc(-c3ccccc3)c2O)cccc1-c1ccccc1
InChIInChI=1S/C32H32N2O2/c35-31-25(15-9-17-27(31)23-11-3-1-4-12-23)21-33-29-19-7-8-20-30(29)34-22-26-16-10-18-28(32(26)36)24-13-5-2-6-14-24/h1-6,9-18,21,29-30,34-36H,7-8,19-20,22H2/b33-21+/t29-,30-/m0/s1
InChIKeyRUQNEGRNWKGISC-KUVNRZIVSA-N
XLogP6.95
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol?
The IUPAC name of 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol (CID 155247152) is 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol.
What is the SMILES notation for 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol?
The canonical SMILES for 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol is Oc1c(/C=N/[C@H]2CCCC[C@@H]2NCc2cccc(-c3ccccc3)c2O)cccc1-c1ccccc1.
What is the InChIKey of 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol?
The InChIKey is RUQNEGRNWKGISC-KUVNRZIVSA-N. The full InChI is InChI=1S/C32H32N2O2/c35-31-25(15-9-17-27(31)23-11-3-1-4-12-23)21-33-29-19-7-8-20-30(29)34-22-26-16-10-18-28(32(26)36)24-13-5-2-6-14-24/h1-6,9-18,21,29-30,34-36H,7-8,19-20,22H2/b33-21+/t29-,30-/m0/s1.
What are the key properties of 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol?
2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol has a molecular weight of 476.62 g/mol, XLogP of 6.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S,2S)-2-[(2-hydroxy-3-phenylphenyl)methylideneamino]cyclohexyl]amino]methyl]-6-phenylphenol is sourced from PubChem (CID 155247152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).