1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene

C12H16Cl2O3 — CID 114320831

IUPAC1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1cccc(Cl)c1CCl
InChIInChI=1S/C12H16Cl2O3/c1-15-5-6-16-7-8-17-12-4-2-3-11(14)10(12)9-13/h2-4H,5-9H2,1H3
InChIKeyRXCUQQNTCPPVMK-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.12
Rot. Bonds8

About 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene

1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene (PubChem CID 114320831) has the molecular formula C12H16Cl2O3 and a molecular weight of 279.16 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
PubChem CID114320831
Molecular FormulaC12H16Cl2O3
Molecular Weight279.16 g/mol
Exact Mass278.05
IUPAC Name1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1cccc(Cl)c1CCl
InChIInChI=1S/C12H16Cl2O3/c1-15-5-6-16-7-8-17-12-4-2-3-11(14)10(12)9-13/h2-4H,5-9H2,1H3
InChIKeyRXCUQQNTCPPVMK-UHFFFAOYSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
1-chloro-2-(chloromethyl)-3-(3,3-dimethylbutoxy)benzene
CID 114320774
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene;ethane
CID 142063314
2-bromo-1-chloro-3-(2-methoxyethoxy)benzene
CID 156587191
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
1-chloro-2-(chloromethyl)-3-(3-methylsulfonylpropoxy)benzene
CID 114320711
2-tert-butyl-1-chloro-3-(2-methoxyethoxy)benzene
CID 146377328
1-chloro-2-(chloromethyl)-3-(2-phenylsulfanylethoxy)benzene
CID 114320786

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene (CID 114320831) is 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene is COCCOCCOc1cccc(Cl)c1CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene?
The InChIKey is RXCUQQNTCPPVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O3/c1-15-5-6-16-7-8-17-12-4-2-3-11(14)10(12)9-13/h2-4H,5-9H2,1H3.
What are the key properties of 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene?
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene has a molecular weight of 279.16 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 114320831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).