2-iodo-3-methoxybenzoyl chloride

C8H6ClIO2 — CID 14104555

IUPAC2-iodo-3-methoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1I
InChIInChI=1S/C8H6ClIO2/c1-12-6-4-2-3-5(7(6)10)8(9)11/h2-4H,1H3
InChIKeyFOCFTJMJOUGXMT-UHFFFAOYSA-N
MW296.49 g/mol
LogP2.68
Rot. Bonds2

About 2-iodo-3-methoxybenzoyl chloride

2-iodo-3-methoxybenzoyl chloride (PubChem CID 14104555) has the molecular formula C8H6ClIO2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 2-iodo-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-iodo-3-methoxybenzoyl chloride
PubChem CID14104555
Molecular FormulaC8H6ClIO2
Molecular Weight296.49 g/mol
Exact Mass295.91
IUPAC Name2-iodo-3-methoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1I
InChIInChI=1S/C8H6ClIO2/c1-12-6-4-2-3-5(7(6)10)8(9)11/h2-4H,1H3
InChIKeyFOCFTJMJOUGXMT-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 52.68
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-methoxyphenyl)-phenylmethanone
CID 134227112
2-iodo-4-methoxy-3-methylbenzoyl chloride
CID 171011084
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
2-iodo-3-methoxybenzoic acid;3-methoxybenzoic acid
CID 21217723
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
2-methoxybenzoyl iodide
CID 139677083
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
3-methoxy-2-(methoxymethyl)benzoic acid
CID 59838599
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
CID 10062032
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methoxybenzoyl chloride?
The IUPAC name of 2-iodo-3-methoxybenzoyl chloride (CID 14104555) is 2-iodo-3-methoxybenzoyl chloride.
What is the SMILES notation for 2-iodo-3-methoxybenzoyl chloride?
The canonical SMILES for 2-iodo-3-methoxybenzoyl chloride is COc1cccc(C(=O)Cl)c1I.
What is the InChIKey of 2-iodo-3-methoxybenzoyl chloride?
The InChIKey is FOCFTJMJOUGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIO2/c1-12-6-4-2-3-5(7(6)10)8(9)11/h2-4H,1H3.
What are the key properties of 2-iodo-3-methoxybenzoyl chloride?
2-iodo-3-methoxybenzoyl chloride has a molecular weight of 296.49 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methoxybenzoyl chloride is sourced from PubChem (CID 14104555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).