2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone

C20H21NO2 — CID 174749442

IUPAC2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone
SMILESO=C(C(=NO)c1ccccc1C1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21NO2/c22-20(16-11-5-2-6-12-16)19(21-23)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h2,5-8,11-15,23H,1,3-4,9-10H2
InChIKeyRIWLRQOQOJJTGB-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.80
Rot. Bonds4

About 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone

2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone (PubChem CID 174749442) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone.

Molecular Properties

Compound Name2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone
PubChem CID174749442
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone
SMILESO=C(C(=NO)c1ccccc1C1CCCCC1)c1ccccc1
InChIInChI=1S/C20H21NO2/c22-20(16-11-5-2-6-12-16)19(21-23)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h2,5-8,11-15,23H,1,3-4,9-10H2
InChIKeyRIWLRQOQOJJTGB-UHFFFAOYSA-N
XLogP4.80
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone?
The IUPAC name of 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone (CID 174749442) is 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone.
What is the SMILES notation for 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone?
The canonical SMILES for 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone is O=C(C(=NO)c1ccccc1C1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone?
The InChIKey is RIWLRQOQOJJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(16-11-5-2-6-12-16)19(21-23)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h2,5-8,11-15,23H,1,3-4,9-10H2.
What are the key properties of 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone?
2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone has a molecular weight of 307.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenyl)-2-hydroxyimino-1-phenylethanone is sourced from PubChem (CID 174749442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).