(1Z)-N-hydroxy-2-phenylethanimidoyl chloride

C8H8ClNO — CID 12932013

IUPAC(1Z)-N-hydroxy-2-phenylethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccccc1
InChIInChI=1S/C8H8ClNO/c9-8(10-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2/b10-8-
InChIKeyGZBWRHWHHPBVHE-NTMALXAHSA-N
MW169.61 g/mol
LogP2.26
Rot. Bonds2

About (1Z)-N-hydroxy-2-phenylethanimidoyl chloride

(1Z)-N-hydroxy-2-phenylethanimidoyl chloride (PubChem CID 12932013) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is (1Z)-N-hydroxy-2-phenylethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-2-phenylethanimidoyl chloride
PubChem CID12932013
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name(1Z)-N-hydroxy-2-phenylethanimidoyl chloride
SMILESO/N=C(\Cl)Cc1ccccc1
InChIInChI=1S/C8H8ClNO/c9-8(10-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2/b10-8-
InChIKeyGZBWRHWHHPBVHE-NTMALXAHSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

Acetophenone oxime
CID 5464950
Phenylacetaldoxime
CID 99748
1-(4-Chlorophenyl)-1-ethanone oxime
CID 5399157
Ap-18
CID 9584673
Acetophenonoxime
CID 69185
(E)-Phenylacetaldehyde oxime
CID 9638853
(Z)-Phenylacetaldehyde oxime
CID 5939523
2-Benzylidenecyclohexanone oxime
CID 5410937
1-Chloro-3,4-dihydro-2-naphthalenecarbaldehyde oxime
CID 9580488
1,3-Diphenylacetone oxime
CID 74518
Phenylacetone ketoxime
CID 5911834
3-Methyl-4-phenyl-3-buten-2-one oxime
CID 6916168

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-2-phenylethanimidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-2-phenylethanimidoyl chloride (CID 12932013) is (1Z)-N-hydroxy-2-phenylethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-2-phenylethanimidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-2-phenylethanimidoyl chloride is O/N=C(\Cl)Cc1ccccc1.
What is the InChIKey of (1Z)-N-hydroxy-2-phenylethanimidoyl chloride?
The InChIKey is GZBWRHWHHPBVHE-NTMALXAHSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-8(10-11)6-7-4-2-1-3-5-7/h1-5,11H,6H2/b10-8-.
What are the key properties of (1Z)-N-hydroxy-2-phenylethanimidoyl chloride?
(1Z)-N-hydroxy-2-phenylethanimidoyl chloride has a molecular weight of 169.61 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-2-phenylethanimidoyl chloride is sourced from PubChem (CID 12932013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).