2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride

C17H16ClNO3 — CID 54063323

IUPAC2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
SMILESCON=C(C(=O)Cl)c1ccccc1COc1cccc(C)c1
InChIInChI=1S/C17H16ClNO3/c1-12-6-5-8-14(10-12)22-11-13-7-3-4-9-15(13)16(17(18)20)19-21-2/h3-10H,11H2,1-2H3
InChIKeyMBGQMQDHTJXIEK-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.69
Rot. Bonds6

About 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride

2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride (PubChem CID 54063323) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride.

Molecular Properties

Compound Name2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
PubChem CID54063323
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride
SMILESCON=C(C(=O)Cl)c1ccccc1COc1cccc(C)c1
InChIInChI=1S/C17H16ClNO3/c1-12-6-5-8-14(10-12)22-11-13-7-3-4-9-15(13)16(17(18)20)19-21-2/h3-10H,11H2,1-2H3
InChIKeyMBGQMQDHTJXIEK-UHFFFAOYSA-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-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
CID 54129940
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
methyl 2-[2-[(3-formylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 142667829
methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
methyl 2-[2-[[4-(2,2-dichloroethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate
CID 90795035
2-methoxyimino-2-[2-[[3-(2-thiophen-2-ylcyclopropyl)phenoxy]methyl]phenyl]acetic acid
CID 140990732
(2E)-2-[2-[[2-(2,2-dichloroethenyl)-4-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87559446

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride?
The IUPAC name of 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride (CID 54063323) is 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride.
What is the SMILES notation for 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride?
The canonical SMILES for 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride is CON=C(C(=O)Cl)c1ccccc1COc1cccc(C)c1.
What is the InChIKey of 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride?
The InChIKey is MBGQMQDHTJXIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-12-6-5-8-14(10-12)22-11-13-7-3-4-9-15(13)16(17(18)20)19-21-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride?
2-methoxyimino-2-[2-[(3-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 2-methoxyimino-2-[2-[(3-methylphenoxy)methyl]phenyl]acetyl chloride is sourced from PubChem (CID 54063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).