2-iodo-4-methoxy-3-methylbenzoyl chloride

C9H8ClIO2 — CID 171011084

IUPAC2-iodo-4-methoxy-3-methylbenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)c(I)c1C
InChIInChI=1S/C9H8ClIO2/c1-5-7(13-2)4-3-6(8(5)11)9(10)12/h3-4H,1-2H3
InChIKeyLXQTVVMPLBNJRN-UHFFFAOYSA-N
MW310.52 g/mol
LogP2.99
Rot. Bonds2

About 2-iodo-4-methoxy-3-methylbenzoyl chloride

2-iodo-4-methoxy-3-methylbenzoyl chloride (PubChem CID 171011084) has the molecular formula C9H8ClIO2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-iodo-4-methoxy-3-methylbenzoyl chloride.

Molecular Properties

Compound Name2-iodo-4-methoxy-3-methylbenzoyl chloride
PubChem CID171011084
Molecular FormulaC9H8ClIO2
Molecular Weight310.52 g/mol
Exact Mass309.93
IUPAC Name2-iodo-4-methoxy-3-methylbenzoyl chloride
SMILESCOc1ccc(C(=O)Cl)c(I)c1C
InChIInChI=1S/C9H8ClIO2/c1-5-7(13-2)4-3-6(8(5)11)9(10)12/h3-4H,1-2H3
InChIKeyLXQTVVMPLBNJRN-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-3-methoxybenzoyl chloride
CID 14104555
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656
1-[2-iodo-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 131309518
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
6-cyano-3-methoxy-2-methylbenzoyl chloride
CID 171026837
2-chloro-5-iodo-3-methoxybenzoyl chloride
CID 171002829
5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride
CID 10714255

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-3-methylbenzoyl chloride?
The IUPAC name of 2-iodo-4-methoxy-3-methylbenzoyl chloride (CID 171011084) is 2-iodo-4-methoxy-3-methylbenzoyl chloride.
What is the SMILES notation for 2-iodo-4-methoxy-3-methylbenzoyl chloride?
The canonical SMILES for 2-iodo-4-methoxy-3-methylbenzoyl chloride is COc1ccc(C(=O)Cl)c(I)c1C.
What is the InChIKey of 2-iodo-4-methoxy-3-methylbenzoyl chloride?
The InChIKey is LXQTVVMPLBNJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIO2/c1-5-7(13-2)4-3-6(8(5)11)9(10)12/h3-4H,1-2H3.
What are the key properties of 2-iodo-4-methoxy-3-methylbenzoyl chloride?
2-iodo-4-methoxy-3-methylbenzoyl chloride has a molecular weight of 310.52 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-3-methylbenzoyl chloride is sourced from PubChem (CID 171011084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).