1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone

C22H23NO2 — CID 135439844

IUPAC1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone
SMILESCC(=O)C1=C(O)CC(c2ccccc2)C/C1=N\CCc1ccccc1
InChIInChI=1S/C22H23NO2/c1-16(24)22-20(23-13-12-17-8-4-2-5-9-17)14-19(15-21(22)25)18-10-6-3-7-11-18/h2-11,19,25H,12-15H2,1H3/b23-20+
InChIKeyCHIQTQIOODXIMP-BSYVCWPDSA-N
MW333.43 g/mol
LogP4.65
Rot. Bonds5

About 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone

1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone (PubChem CID 135439844) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone
PubChem CID135439844
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone
SMILESCC(=O)C1=C(O)CC(c2ccccc2)C/C1=N\CCc1ccccc1
InChIInChI=1S/C22H23NO2/c1-16(24)22-20(23-13-12-17-8-4-2-5-9-17)14-19(15-21(22)25)18-10-6-3-7-11-18/h2-11,19,25H,12-15H2,1H3/b23-20+
InChIKeyCHIQTQIOODXIMP-BSYVCWPDSA-N
XLogP4.65
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
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 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone (CID 135439844) is 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone is CC(=O)C1=C(O)CC(c2ccccc2)C/C1=N\CCc1ccccc1.
What is the InChIKey of 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone?
The InChIKey is CHIQTQIOODXIMP-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16(24)22-20(23-13-12-17-8-4-2-5-9-17)14-19(15-21(22)25)18-10-6-3-7-11-18/h2-11,19,25H,12-15H2,1H3/b23-20+.
What are the key properties of 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone?
1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone has a molecular weight of 333.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-phenyl-6-(2-phenylethylimino)cyclohexen-1-yl]ethanone is sourced from PubChem (CID 135439844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).