5-methoxy-2-methylperoxybenzoyl chloride

C9H9ClO4 — CID 141072137

IUPAC5-methoxy-2-methylperoxybenzoyl chloride
SMILESCOOc1ccc(OC)cc1C(=O)Cl
InChIInChI=1S/C9H9ClO4/c1-12-6-3-4-8(14-13-2)7(5-6)9(10)11/h3-5H,1-2H3
InChIKeyLBDCAEPEFCIRMX-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.01
Rot. Bonds4

About 5-methoxy-2-methylperoxybenzoyl chloride

5-methoxy-2-methylperoxybenzoyl chloride (PubChem CID 141072137) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is 5-methoxy-2-methylperoxybenzoyl chloride.

Molecular Properties

Compound Name5-methoxy-2-methylperoxybenzoyl chloride
PubChem CID141072137
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name5-methoxy-2-methylperoxybenzoyl chloride
SMILESCOOc1ccc(OC)cc1C(=O)Cl
InChIInChI=1S/C9H9ClO4/c1-12-6-3-4-8(14-13-2)7(5-6)9(10)11/h3-5H,1-2H3
InChIKeyLBDCAEPEFCIRMX-UHFFFAOYSA-N
XLogP2.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
5-methoxy-2-(triazol-2-yl)benzoyl chloride
CID 162404582
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride
CID 10714255
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
1-(2,5-dimethoxyphenyl)-2,2-dimethoxyethanone
CID 79492414
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
(3-carbonochloridoyl-4-ethoxyphenyl) acetate
CID 139652500

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylperoxybenzoyl chloride?
The IUPAC name of 5-methoxy-2-methylperoxybenzoyl chloride (CID 141072137) is 5-methoxy-2-methylperoxybenzoyl chloride.
What is the SMILES notation for 5-methoxy-2-methylperoxybenzoyl chloride?
The canonical SMILES for 5-methoxy-2-methylperoxybenzoyl chloride is COOc1ccc(OC)cc1C(=O)Cl.
What is the InChIKey of 5-methoxy-2-methylperoxybenzoyl chloride?
The InChIKey is LBDCAEPEFCIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-12-6-3-4-8(14-13-2)7(5-6)9(10)11/h3-5H,1-2H3.
What are the key properties of 5-methoxy-2-methylperoxybenzoyl chloride?
5-methoxy-2-methylperoxybenzoyl chloride has a molecular weight of 216.62 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylperoxybenzoyl chloride is sourced from PubChem (CID 141072137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).