[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate

C14H19NO4 — CID 175507003

IUPAC[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate
SMILESCCOC(C)c1ccc(C(COC(C)=O)=NO)cc1
InChIInChI=1S/C14H19NO4/c1-4-18-10(2)12-5-7-13(8-6-12)14(15-17)9-19-11(3)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyAVFDOFAPOASXGX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.53
Rot. Bonds6

About [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate

[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate (PubChem CID 175507003) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate.

Molecular Properties

Compound Name[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate
PubChem CID175507003
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate
SMILESCCOC(C)c1ccc(C(COC(C)=O)=NO)cc1
InChIInChI=1S/C14H19NO4/c1-4-18-10(2)12-5-7-13(8-6-12)14(15-17)9-19-11(3)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyAVFDOFAPOASXGX-UHFFFAOYSA-N
XLogP2.53
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.53
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

1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
4-(1-ethoxyethyl)phenol
CID 15774870
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
4-(1-propoxyethyl)benzoic acid
CID 14473433
5-[4-(1-ethoxyethyl)phenyl]pyridine-3-carboxamide
CID 56707076
[(1R)-1-(4-acetylphenyl)ethyl] acetate
CID 71348999
4-[1-(2-methylbutoxy)ethyl]benzoic acid
CID 14473442
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
4-(1-acetyloxyethyl)benzoic acid
CID 57306237
2-[6-[4-[(1R)-1-ethoxyethyl]phenyl]-3-pyridinyl]acetic acid
CID 99936616
6-[4-(1-ethoxyethyl)phenyl]pyrazine-2-carboxylic acid
CID 77079497

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate?
The IUPAC name of [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate (CID 175507003) is [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate.
What is the SMILES notation for [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate?
The canonical SMILES for [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate is CCOC(C)c1ccc(C(COC(C)=O)=NO)cc1.
What is the InChIKey of [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate?
The InChIKey is AVFDOFAPOASXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-10(2)12-5-7-13(8-6-12)14(15-17)9-19-11(3)16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate?
[2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate has a molecular weight of 265.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-ethoxyethyl)phenyl]-2-hydroxyiminoethyl] acetate is sourced from PubChem (CID 175507003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).