4-iodo-2,3-dimethoxybenzoyl chloride

C9H8ClIO3 — CID 131075757

IUPAC4-iodo-2,3-dimethoxybenzoyl chloride
SMILESCOc1c(I)ccc(C(=O)Cl)c1OC
InChIInChI=1S/C9H8ClIO3/c1-13-7-5(9(10)12)3-4-6(11)8(7)14-2/h3-4H,1-2H3
InChIKeyOZNDNBZXPIGURL-UHFFFAOYSA-N
MW326.52 g/mol
LogP2.69
Rot. Bonds3

About 4-iodo-2,3-dimethoxybenzoyl chloride

4-iodo-2,3-dimethoxybenzoyl chloride (PubChem CID 131075757) has the molecular formula C9H8ClIO3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 4-iodo-2,3-dimethoxybenzoyl chloride.

Molecular Properties

Compound Name4-iodo-2,3-dimethoxybenzoyl chloride
PubChem CID131075757
Molecular FormulaC9H8ClIO3
Molecular Weight326.52 g/mol
Exact Mass325.92
IUPAC Name4-iodo-2,3-dimethoxybenzoyl chloride
SMILESCOc1c(I)ccc(C(=O)Cl)c1OC
InChIInChI=1S/C9H8ClIO3/c1-13-7-5(9(10)12)3-4-6(11)8(7)14-2/h3-4H,1-2H3
InChIKeyOZNDNBZXPIGURL-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-iodo-2-methoxybenzoyl chloride
CID 171003173
2,3-dimethoxy-4-phenylbenzoyl chloride
CID 18351428
2-iodo-3-methoxybenzoyl chloride
CID 14104555
4-fluoro-3-formyl-2-methoxybenzoyl chloride
CID 171009671
2-iodo-4-methoxy-3-methylbenzoyl chloride
CID 171011084
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 3-fluoro-4-iodo-2-methoxybenzoate
CID 98041703
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
3-formyl-5-iodo-2-methoxybenzoyl chloride
CID 171015865
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
2-methoxy-3-nitrobenzoyl chloride
CID 21406531

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,3-dimethoxybenzoyl chloride?
The IUPAC name of 4-iodo-2,3-dimethoxybenzoyl chloride (CID 131075757) is 4-iodo-2,3-dimethoxybenzoyl chloride.
What is the SMILES notation for 4-iodo-2,3-dimethoxybenzoyl chloride?
The canonical SMILES for 4-iodo-2,3-dimethoxybenzoyl chloride is COc1c(I)ccc(C(=O)Cl)c1OC.
What is the InChIKey of 4-iodo-2,3-dimethoxybenzoyl chloride?
The InChIKey is OZNDNBZXPIGURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIO3/c1-13-7-5(9(10)12)3-4-6(11)8(7)14-2/h3-4H,1-2H3.
What are the key properties of 4-iodo-2,3-dimethoxybenzoyl chloride?
4-iodo-2,3-dimethoxybenzoyl chloride has a molecular weight of 326.52 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,3-dimethoxybenzoyl chloride is sourced from PubChem (CID 131075757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).