1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene

C11H14ClIO2 — CID 114773109

IUPAC1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
SMILESCOCCOC(CI)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClIO2/c1-14-5-6-15-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyQKXDGHGWHPXLJV-UHFFFAOYSA-N
MW340.59 g/mol
LogP3.48
Rot. Bonds6

About 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene

1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene (PubChem CID 114773109) has the molecular formula C11H14ClIO2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
PubChem CID114773109
Molecular FormulaC11H14ClIO2
Molecular Weight340.59 g/mol
Exact Mass339.97
IUPAC Name1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
SMILESCOCCOC(CI)c1cccc(Cl)c1
InChIInChI=1S/C11H14ClIO2/c1-14-5-6-15-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyQKXDGHGWHPXLJV-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.59
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-iodo-1-(2-methoxyethoxy)ethyl]-3-methylbenzene
CID 114773155
1-chloro-3-[1-(3,3-dimethylbutoxy)-2-iodoethyl]benzene
CID 114774490
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
1-chloro-3-[1-(2,2-difluoropropoxy)-2-iodoethyl]benzene
CID 165493406
1-chloro-3-(2-iodo-1-propan-2-yloxyethyl)benzene
CID 114772102
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
CID 114772826
1-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-methoxybenzene
CID 103405052
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
(1R)-1-(3-chlorophenyl)-2-methoxyethanethiol
CID 144850703

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene?
The IUPAC name of 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene (CID 114773109) is 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene?
The canonical SMILES for 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene is COCCOC(CI)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene?
The InChIKey is QKXDGHGWHPXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIO2/c1-14-5-6-15-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene?
1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene has a molecular weight of 340.59 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene is sourced from PubChem (CID 114773109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).