ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate

C15H19NO4 — CID 123718793

IUPACethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate
SMILESCCOC(=O)/C(=N/O)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-20-15(17)14(16-18)13-5-3-11(4-6-13)12-7-9-19-10-8-12/h3-6,12,18H,2,7-10H2,1H3/b16-14+
InChIKeyKYZFLIQHMMXFTR-JQIJEIRASA-N
MW277.32 g/mol
LogP2.32
Rot. Bonds4

About ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate

ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate (PubChem CID 123718793) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate
PubChem CID123718793
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate
SMILESCCOC(=O)/C(=N/O)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C15H19NO4/c1-2-20-15(17)14(16-18)13-5-3-11(4-6-13)12-7-9-19-10-8-12/h3-6,12,18H,2,7-10H2,1H3/b16-14+
InChIKeyKYZFLIQHMMXFTR-JQIJEIRASA-N
XLogP2.32
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Ximoprofen
CID 68756
(Z)-ethyl 4-(hydroxyimino)-3-phenylpentanoate
CID 5914219
2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]acetic acid
CID 18999590
2-[4-[[(2Z)-2-hydroxyiminocyclohexyl]methyl]phenyl]propanoic acid
CID 21312278
2-[4-[[(2Z)-2-hydroxyiminocyclopentyl]methyl]phenyl]propanoic acid
CID 21312282
2-[4-[[(2Z)-2-hydroxyiminocycloheptyl]methyl]phenyl]propanoic acid
CID 21312284
methyl (2Z)-2-hydroxyimino-2-[3-[(Z)-N-hydroxy-C-methoxycarbonylcarbonimidoyl]phenyl]acetate
CID 44446348
2-[4-[(3Z)-3-hydroxyiminocyclohexyl]phenyl]propanoic acid
CID 6537325
ethyl (2E)-2-diazo-2-[4-(trifluoromethyl)phenyl]acetate
CID 101885738
Methyl 2-methoxyimino-2-phenylacetate
CID 577152
Methoxyimino-phenylacetic acid, methyl ester
CID 9602710
alpha-Methoxyiminophenylacetic acid
CID 53932705

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate?
The IUPAC name of ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate (CID 123718793) is ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate.
What is the SMILES notation for ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate?
The canonical SMILES for ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate is CCOC(=O)/C(=N/O)c1ccc(C2CCOCC2)cc1.
What is the InChIKey of ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate?
The InChIKey is KYZFLIQHMMXFTR-JQIJEIRASA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-15(17)14(16-18)13-5-3-11(4-6-13)12-7-9-19-10-8-12/h3-6,12,18H,2,7-10H2,1H3/b16-14+.
What are the key properties of ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate?
ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate has a molecular weight of 277.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate is sourced from PubChem (CID 123718793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).