(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone

C15H19NO2 — CID 15882424

IUPAC(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
SMILESO=C(/C=N/OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H19NO2/c17-15(14-9-5-2-6-10-14)11-16-18-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b16-11+
InChIKeySCZRZVHORMKMQF-LFIBNONCSA-N
MW245.32 g/mol
LogP3.34
Rot. Bonds5

About (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone

(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone (PubChem CID 15882424) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
PubChem CID15882424
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone
SMILESO=C(/C=N/OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H19NO2/c17-15(14-9-5-2-6-10-14)11-16-18-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b16-11+
InChIKeySCZRZVHORMKMQF-LFIBNONCSA-N
XLogP3.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-6,6,6-trifluoro-1-phenyl-4-[(E)-phenylmethoxyiminomethyl]hexan-1-one
CID 164673919
4-Cyclohexyl-5-phenyl-4,5-dihydroisoxazole
CID 91719300
(E)-2-methyl-N-[(1R)-1-phenylbutoxy]propan-1-imine
CID 10900120
(2E)-1-phenyl-2-phenylmethoxyiminoethanone
CID 12745727
(1E)-1-phenylmethoxyiminodecan-2-one
CID 15882423
(2E)-1-(1-adamantyl)-2-phenylmethoxyiminoethanone
CID 15882425
(Z)-1-cyclohexyl-N-phenylmethoxymethanimine
CID 101991396
(E)-3-methyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
CID 134883788
(Z)-2-methyl-N-(1-phenylethoxy)propan-1-imine
CID 134896870
(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one
CID 134997848
methyl (3Z)-3-cyclohexyl-3-phenylmethoxyiminopropanoate
CID 176421171
3-Phenyl-4-[[3-(trifluoromethyl)phenyl]methoxyimino]butan-2-one
CID 3511337

Frequently Asked Questions

What is the IUPAC name of (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone?
The IUPAC name of (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone (CID 15882424) is (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone.
What is the SMILES notation for (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone?
The canonical SMILES for (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone is O=C(/C=N/OCc1ccccc1)C1CCCCC1.
What is the InChIKey of (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone?
The InChIKey is SCZRZVHORMKMQF-LFIBNONCSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(14-9-5-2-6-10-14)11-16-18-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2/b16-11+.
What are the key properties of (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone?
(2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone has a molecular weight of 245.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-cyclohexyl-2-phenylmethoxyiminoethanone is sourced from PubChem (CID 15882424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).