(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride

C17H16ClNO3 — CID 15300766

IUPAC(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
SMILESCO/N=C(\C(=O)Cl)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H16ClNO3/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(18)20)19-21-2/h3-10H,11H2,1-2H3/b19-16-
InChIKeyWLXSKHFYFQCUAV-MNDPQUGUSA-N
MW317.77 g/mol
LogP3.69
Rot. Bonds6

About (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride

(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride (PubChem CID 15300766) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
PubChem CID15300766
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
SMILESCO/N=C(\C(=O)Cl)c1ccccc1COc1ccccc1C
InChIInChI=1S/C17H16ClNO3/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(18)20)19-21-2/h3-10H,11H2,1-2H3/b19-16-
InChIKeyWLXSKHFYFQCUAV-MNDPQUGUSA-N
XLogP3.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.69
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'}

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Related Compounds

(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(1E)-3-hydroxy-1-methoxyimino-1-[2-[(2-methylphenoxy)methyl]phenyl]propan-2-one;iodoform
CID 172949121
2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54063323
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
2-methoxyimino-2-[3-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 54494590
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
zinc;manganese(2+);methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 173179399
2-methoxyimino-N-methyl-2-[2-[2-(2-methylphenoxy)ethyl]phenyl]acetamide
CID 150692604
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
(2Z)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylideneacetamide
CID 18715723

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride?
The IUPAC name of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride (CID 15300766) is (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride.
What is the SMILES notation for (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride?
The canonical SMILES for (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride is CO/N=C(\C(=O)Cl)c1ccccc1COc1ccccc1C.
What is the InChIKey of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride?
The InChIKey is WLXSKHFYFQCUAV-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(18)20)19-21-2/h3-10H,11H2,1-2H3/b19-16-.
What are the key properties of (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride?
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride has a molecular weight of 317.77 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride is sourced from PubChem (CID 15300766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).