1,3-dichloro-4-ethoxy-2-iodobenzene

C8H7Cl2IO — CID 171008192

IUPAC1,3-dichloro-4-ethoxy-2-iodobenzene
SMILESCCOc1ccc(Cl)c(I)c1Cl
InChIInChI=1S/C8H7Cl2IO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2H2,1H3
InChIKeyYBJXFEPSCAIWMW-UHFFFAOYSA-N
MW316.95 g/mol
LogP4.00
Rot. Bonds2

About 1,3-dichloro-4-ethoxy-2-iodobenzene

1,3-dichloro-4-ethoxy-2-iodobenzene (PubChem CID 171008192) has the molecular formula C8H7Cl2IO and a molecular weight of 316.95 g/mol. Its IUPAC name is 1,3-dichloro-4-ethoxy-2-iodobenzene.

Molecular Properties

Compound Name1,3-dichloro-4-ethoxy-2-iodobenzene
PubChem CID171008192
Molecular FormulaC8H7Cl2IO
Molecular Weight316.95 g/mol
Exact Mass315.89
IUPAC Name1,3-dichloro-4-ethoxy-2-iodobenzene
SMILESCCOc1ccc(Cl)c(I)c1Cl
InChIInChI=1S/C8H7Cl2IO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2H2,1H3
InChIKeyYBJXFEPSCAIWMW-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.95
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1,3-dichloro-4-ethoxy-2-iodobenzene with MolForge

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

Launch Full Analysis

Related Compounds

1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
CID 164894138
(2,6-dichloro-3-ethoxyphenyl)methanamine
CID 130863445
(2,6-dichloro-3-ethoxyphenyl)boronic acid
CID 171367474
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
6-chloro-3-ethoxy-2-iodopyridine
CID 131160453
6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
3-chloro-4-ethoxypyridin-2-amine
CID 154642114
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-4-ethoxy-2-iodobenzene?
The IUPAC name of 1,3-dichloro-4-ethoxy-2-iodobenzene (CID 171008192) is 1,3-dichloro-4-ethoxy-2-iodobenzene.
What is the SMILES notation for 1,3-dichloro-4-ethoxy-2-iodobenzene?
The canonical SMILES for 1,3-dichloro-4-ethoxy-2-iodobenzene is CCOc1ccc(Cl)c(I)c1Cl.
What is the InChIKey of 1,3-dichloro-4-ethoxy-2-iodobenzene?
The InChIKey is YBJXFEPSCAIWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2IO/c1-2-12-6-4-3-5(9)8(11)7(6)10/h3-4H,2H2,1H3.
What are the key properties of 1,3-dichloro-4-ethoxy-2-iodobenzene?
1,3-dichloro-4-ethoxy-2-iodobenzene has a molecular weight of 316.95 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-4-ethoxy-2-iodobenzene is sourced from PubChem (CID 171008192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).