1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C15H11ClFIO2 — CID 103214368

IUPAC1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(I)c(Cl)c2)c1F
InChIInChI=1S/C15H11ClFIO2/c1-20-14-4-2-3-10(15(14)17)8-13(19)9-5-6-12(18)11(16)7-9/h2-7H,8H2,1H3
InChIKeyOCQQWQAHLDCSLO-UHFFFAOYSA-N
MW404.61 g/mol
LogP4.52
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 103214368) has the molecular formula C15H11ClFIO2 and a molecular weight of 404.61 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID103214368
Molecular FormulaC15H11ClFIO2
Molecular Weight404.61 g/mol
Exact Mass403.95
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2ccc(I)c(Cl)c2)c1F
InChIInChI=1S/C15H11ClFIO2/c1-20-14-4-2-3-10(15(14)17)8-13(19)9-5-6-12(18)11(16)7-9/h2-7H,8H2,1H3
InChIKeyOCQQWQAHLDCSLO-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.61
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-iodophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 103213975
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-chlorobenzoate
CID 104794399
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
1-(4-ethylsulfanylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 106847880
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 103214368) is 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2ccc(I)c(Cl)c2)c1F.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is OCQQWQAHLDCSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFIO2/c1-20-14-4-2-3-10(15(14)17)8-13(19)9-5-6-12(18)11(16)7-9/h2-7H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 404.61 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 103214368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).