(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one

C30H27NO2 — CID 134867606

IUPAC(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one
SMILESCc1ccc(C(CC(=O)c2ccccc2)C(/C(=N\O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NO2/c1-22-17-19-23(20-18-22)27(21-28(32)24-11-5-2-6-12-24)29(25-13-7-3-8-14-25)30(31-33)26-15-9-4-10-16-26/h2-20,27,29,33H,21H2,1H3/b31-30-
InChIKeyGEBNHFGYZZTWKO-KTMFPKCZSA-N
MW433.55 g/mol
LogP7.01
Rot. Bonds8

About (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one

(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one (PubChem CID 134867606) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one.

Molecular Properties

Compound Name(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one
PubChem CID134867606
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC Name(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one
SMILESCc1ccc(C(CC(=O)c2ccccc2)C(/C(=N\O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H27NO2/c1-22-17-19-23(20-18-22)27(21-28(32)24-11-5-2-6-12-24)29(25-13-7-3-8-14-25)30(31-33)26-15-9-4-10-16-26/h2-20,27,29,33H,21H2,1H3/b31-30-
InChIKeyGEBNHFGYZZTWKO-KTMFPKCZSA-N
XLogP7.01
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one?
The IUPAC name of (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one (CID 134867606) is (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one.
What is the SMILES notation for (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one?
The canonical SMILES for (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one is Cc1ccc(C(CC(=O)c2ccccc2)C(/C(=N\O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one?
The InChIKey is GEBNHFGYZZTWKO-KTMFPKCZSA-N. The full InChI is InChI=1S/C30H27NO2/c1-22-17-19-23(20-18-22)27(21-28(32)24-11-5-2-6-12-24)29(25-13-7-3-8-14-25)30(31-33)26-15-9-4-10-16-26/h2-20,27,29,33H,21H2,1H3/b31-30-.
What are the key properties of (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one?
(5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one has a molecular weight of 433.55 g/mol, XLogP of 7.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-hydroxyimino-3-(4-methylphenyl)-1,4,5-triphenylpentan-1-one is sourced from PubChem (CID 134867606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).