4-Phenylcyclohexanone oxime
PubChem CID
343882
Structure
Molecular Formula
Synonyms
- 4-Phenylcyclohexanone oxime
- 4500-20-3
- N-(4-phenylcyclohexylidene)hydroxylamine
- 4-Phenylcyclohexane-1-oneoxime
- MFCD00456899
Molecular Weight
189.25 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Chemical Structure Depiction
N-(4-phenylcyclohexylidene)hydroxylamine
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C12H15NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
JTLAHVRPWDIEMU-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1CC(=NO)CCC1C2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H15NO
Computed by PubChem 2.2 (PubChem release 2024.11.20)
4500-20-3
- 4-Phenylcyclohexanone oxime
- 4500-20-3
- N-(4-phenylcyclohexylidene)hydroxylamine
- 4-Phenylcyclohexane-1-oneoxime
- MFCD00456899
- NSC400452
- 4-Phenylcyclohexanoneoxime
- CYCLOHEXANONE, 4-PHENYL-, OXIME
- NSC 400452
- 4-phenylcylohexanone oxime
- 4Phenylcyclohexanone Oxime
- SCHEMBL257216
- CHEMBL1996910
- JTLAHVRPWDIEMU-UHFFFAOYSA-N
- ALBB-016469
- 1-(hydroxyimino)-4-phenylcyclohexane
- AKOS008939852
- AB06054
- NSC-400452
- LS-05120
- NCI60_003738
- SY084875
- DS-011624
- CS-0160898
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
189.25 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
189.115364102 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
189.115364102 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
32.6 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
196
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JTLAHVRPWDIEMU-UHFFFAOYSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JTLAHVRPWDIEMU-SEYXRHQNSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JTLAHVRPWDIEMU-IBPBOOLHSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplus4-Phenylcyclohexanone oximehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0004500203ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388936643https://pubchem.ncbi.nlm.nih.gov/substance/388936643SID 389416400https://pubchem.ncbi.nlm.nih.gov/substance/389416400SID 397542668https://pubchem.ncbi.nlm.nih.gov/substance/397542668
CONTENTS