2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol

C23H22N2O2 — CID 88811152

IUPAC2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol
SMILES[H]/N=C(\c1ccc(C)c(/C(=N\[H])C(O)c2ccccc2)c1)C(O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-12-13-18(20(24)22(26)16-8-4-2-5-9-16)14-19(15)21(25)23(27)17-10-6-3-7-11-17/h2-14,22-27H,1H3/b24-20+,25-21+
InChIKeyVLLQVLBENIBGQD-CTWPWMDCSA-N
MW358.44 g/mol
LogP4.20
Rot. Bonds6

About 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol

2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol (PubChem CID 88811152) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol
PubChem CID88811152
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol
SMILES[H]/N=C(\c1ccc(C)c(/C(=N\[H])C(O)c2ccccc2)c1)C(O)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-12-13-18(20(24)22(26)16-8-4-2-5-9-16)14-19(15)21(25)23(27)17-10-6-3-7-11-17/h2-14,22-27H,1H3/b24-20+,25-21+
InChIKeyVLLQVLBENIBGQD-CTWPWMDCSA-N
XLogP4.20
TPSA88.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol?
The IUPAC name of 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol (CID 88811152) is 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol.
What is the SMILES notation for 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol?
The canonical SMILES for 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol is [H]/N=C(\c1ccc(C)c(/C(=N\[H])C(O)c2ccccc2)c1)C(O)c1ccccc1.
What is the InChIKey of 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol?
The InChIKey is VLLQVLBENIBGQD-CTWPWMDCSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-12-13-18(20(24)22(26)16-8-4-2-5-9-16)14-19(15)21(25)23(27)17-10-6-3-7-11-17/h2-14,22-27H,1H3/b24-20+,25-21+.
What are the key properties of 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol?
2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol has a molecular weight of 358.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol is sourced from PubChem (CID 88811152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).