2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone

C10H10ClIO2 — CID 171011799

IUPAC2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone
SMILESCOc1c(C)ccc(I)c1C(=O)CCl
InChIInChI=1S/C10H10ClIO2/c1-6-3-4-7(12)9(8(13)5-11)10(6)14-2/h3-4H,5H2,1-2H3
InChIKeyRGELVROHLPGQEX-UHFFFAOYSA-N
MW324.55 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone

2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone (PubChem CID 171011799) has the molecular formula C10H10ClIO2 and a molecular weight of 324.55 g/mol. Its IUPAC name is 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone
PubChem CID171011799
Molecular FormulaC10H10ClIO2
Molecular Weight324.55 g/mol
Exact Mass323.94
IUPAC Name2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone
SMILESCOc1c(C)ccc(I)c1C(=O)CCl
InChIInChI=1S/C10H10ClIO2/c1-6-3-4-7(12)9(8(13)5-11)10(6)14-2/h3-4H,5H2,1-2H3
InChIKeyRGELVROHLPGQEX-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroacetyl)-4-iodo-2-methoxybenzonitrile
CID 171025325
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004926
2-chloro-1-(2-chloro-6-iodo-4-methoxyphenyl)ethanone
CID 171003358
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
1-(3-bromo-5-iodo-4-methoxyphenyl)-2-chloroethanone
CID 171010318
2-chloro-1-(2,6-difluoro-3-iodophenyl)ethanone
CID 131349757
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
2-chloro-1-[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 171030175
3-(2-chloroacetyl)-4-hydroxy-2-methoxybenzonitrile
CID 171020200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone (CID 171011799) is 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone is COc1c(C)ccc(I)c1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone?
The InChIKey is RGELVROHLPGQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO2/c1-6-3-4-7(12)9(8(13)5-11)10(6)14-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone?
2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone has a molecular weight of 324.55 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-iodo-2-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 171011799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).