2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride

C17H16ClNO3 — CID 54129940

IUPAC2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
SMILESCCON=C(C(=O)Cl)c1ccccc1COc1ccccc1
InChIInChI=1S/C17H16ClNO3/c1-2-22-19-16(17(18)20)15-11-7-6-8-13(15)12-21-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3
InChIKeyNTQFZQAUCXJTDQ-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.77
Rot. Bonds7

About 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride

2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride (PubChem CID 54129940) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride.

Molecular Properties

Compound Name2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
PubChem CID54129940
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
SMILESCCON=C(C(=O)Cl)c1ccccc1COc1ccccc1
InChIInChI=1S/C17H16ClNO3/c1-2-22-19-16(17(18)20)15-11-7-6-8-13(15)12-21-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3
InChIKeyNTQFZQAUCXJTDQ-UHFFFAOYSA-N
XLogP3.77
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[4-(2-chloro-2-fluoroethenyl)phenoxy]methyl]phenyl]-2-ethoxyiminoacetic acid
CID 173109670
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323
2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 53394940
(2E)-2-[2-(chloromethyl)phenyl]-2-ethoxyiminoacetic acid
CID 45108226
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
(2E)-2-[2-[[2-chloro-3-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-ethoxyiminoacetic acid
CID 172967263
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide
CID 22415752
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide
CID 74017841

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride?
The IUPAC name of 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride (CID 54129940) is 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride.
What is the SMILES notation for 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride?
The canonical SMILES for 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride is CCON=C(C(=O)Cl)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride?
The InChIKey is NTQFZQAUCXJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-2-22-19-16(17(18)20)15-11-7-6-8-13(15)12-21-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3.
What are the key properties of 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride?
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride has a molecular weight of 317.77 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride is sourced from PubChem (CID 54129940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).