2,4-diiodo-3-methoxy-6-methylbenzoyl chloride

C9H7ClI2O2 — CID 163968240

IUPAC2,4-diiodo-3-methoxy-6-methylbenzoyl chloride
SMILESCOc1c(I)cc(C)c(C(=O)Cl)c1I
InChIInChI=1S/C9H7ClI2O2/c1-4-3-5(11)8(14-2)7(12)6(4)9(10)13/h3H,1-2H3
InChIKeySNSGUIGWSYMZKU-UHFFFAOYSA-N
MW436.41 g/mol
LogP3.59
Rot. Bonds2

About 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride

2,4-diiodo-3-methoxy-6-methylbenzoyl chloride (PubChem CID 163968240) has the molecular formula C9H7ClI2O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride.

Molecular Properties

Compound Name2,4-diiodo-3-methoxy-6-methylbenzoyl chloride
PubChem CID163968240
Molecular FormulaC9H7ClI2O2
Molecular Weight436.41 g/mol
Exact Mass435.82
IUPAC Name2,4-diiodo-3-methoxy-6-methylbenzoyl chloride
SMILESCOc1c(I)cc(C)c(C(=O)Cl)c1I
InChIInChI=1S/C9H7ClI2O2/c1-4-3-5(11)8(14-2)7(12)6(4)9(10)13/h3H,1-2H3
InChIKeySNSGUIGWSYMZKU-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.59
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

2,4,6-triiodo-3-methoxy-5-methylbenzoyl chloride
CID 18439224
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
6-chloro-3-iodo-2-methoxybenzoyl chloride
CID 171003173
2-bromo-4-methoxy-6-methylbenzoyl chloride
CID 171004487
4-formyl-2-iodo-6-methylbenzoyl chloride
CID 171015604
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone
CID 171011799

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride?
The IUPAC name of 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride (CID 163968240) is 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride.
What is the SMILES notation for 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride?
The canonical SMILES for 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride is COc1c(I)cc(C)c(C(=O)Cl)c1I.
What is the InChIKey of 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride?
The InChIKey is SNSGUIGWSYMZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClI2O2/c1-4-3-5(11)8(14-2)7(12)6(4)9(10)13/h3H,1-2H3.
What are the key properties of 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride?
2,4-diiodo-3-methoxy-6-methylbenzoyl chloride has a molecular weight of 436.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-3-methoxy-6-methylbenzoyl chloride is sourced from PubChem (CID 163968240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).