1-(2-chloro-3-ethyl-6-iodophenyl)ethanone

C10H10ClIO — CID 134341687

IUPAC1-(2-chloro-3-ethyl-6-iodophenyl)ethanone
SMILESCCc1ccc(I)c(C(C)=O)c1Cl
InChIInChI=1S/C10H10ClIO/c1-3-7-4-5-8(12)9(6(2)13)10(7)11/h4-5H,3H2,1-2H3
InChIKeyWGFHMDQWWXKROV-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.71
Rot. Bonds2

About 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone

1-(2-chloro-3-ethyl-6-iodophenyl)ethanone (PubChem CID 134341687) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-ethyl-6-iodophenyl)ethanone
PubChem CID134341687
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name1-(2-chloro-3-ethyl-6-iodophenyl)ethanone
SMILESCCc1ccc(I)c(C(C)=O)c1Cl
InChIInChI=1S/C10H10ClIO/c1-3-7-4-5-8(12)9(6(2)13)10(7)11/h4-5H,3H2,1-2H3
InChIKeyWGFHMDQWWXKROV-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone?
The IUPAC name of 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone (CID 134341687) is 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone is CCc1ccc(I)c(C(C)=O)c1Cl.
What is the InChIKey of 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone?
The InChIKey is WGFHMDQWWXKROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c1-3-7-4-5-8(12)9(6(2)13)10(7)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone?
1-(2-chloro-3-ethyl-6-iodophenyl)ethanone has a molecular weight of 308.55 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-ethyl-6-iodophenyl)ethanone is sourced from PubChem (CID 134341687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).