1-chloro-2-iodobenzene;ethoxyethane

C10H14ClIO — CID 67785731

IUPAC1-chloro-2-iodobenzene;ethoxyethane
SMILESCCOCC.Clc1ccccc1I
InChIInChI=1S/C6H4ClI.C4H10O/c7-5-3-1-2-4-6(5)8;1-3-5-4-2/h1-4H;3-4H2,1-2H3
InChIKeyITEDNPCVQOSCBX-UHFFFAOYSA-N
MW312.58 g/mol
LogP3.99
Rot. Bonds2

About 1-chloro-2-iodobenzene;ethoxyethane

1-chloro-2-iodobenzene;ethoxyethane (PubChem CID 67785731) has the molecular formula C10H14ClIO and a molecular weight of 312.58 g/mol. Its IUPAC name is 1-chloro-2-iodobenzene;ethoxyethane.

Molecular Properties

Compound Name1-chloro-2-iodobenzene;ethoxyethane
PubChem CID67785731
Molecular FormulaC10H14ClIO
Molecular Weight312.58 g/mol
Exact Mass311.98
IUPAC Name1-chloro-2-iodobenzene;ethoxyethane
SMILESCCOCC.Clc1ccccc1I
InChIInChI=1S/C6H4ClI.C4H10O/c7-5-3-1-2-4-6(5)8;1-3-5-4-2/h1-4H;3-4H2,1-2H3
InChIKeyITEDNPCVQOSCBX-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichlorobenzene;ethoxyethane
CID 68845412
1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
benzenesulfonylbenzene;1,1'-biphenyl;ethoxyethane
CID 67285974
ethoxyethane;phenanthrene
CID 174652079
benzylbenzene;ethoxyethane
CID 69148831
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636
N-(3-ethoxypropyl)-2-iodoaniline
CID 65175161
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
CID 86037310

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-iodobenzene;ethoxyethane?
The IUPAC name of 1-chloro-2-iodobenzene;ethoxyethane (CID 67785731) is 1-chloro-2-iodobenzene;ethoxyethane.
What is the SMILES notation for 1-chloro-2-iodobenzene;ethoxyethane?
The canonical SMILES for 1-chloro-2-iodobenzene;ethoxyethane is CCOCC.Clc1ccccc1I.
What is the InChIKey of 1-chloro-2-iodobenzene;ethoxyethane?
The InChIKey is ITEDNPCVQOSCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClI.C4H10O/c7-5-3-1-2-4-6(5)8;1-3-5-4-2/h1-4H;3-4H2,1-2H3.
What are the key properties of 1-chloro-2-iodobenzene;ethoxyethane?
1-chloro-2-iodobenzene;ethoxyethane has a molecular weight of 312.58 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-iodobenzene;ethoxyethane is sourced from PubChem (CID 67785731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).