1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene

C16H16Cl2O2 — CID 141264907

IUPAC1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
SMILESCC(Oc1ccccc1CCl)Oc1ccccc1CCl
InChIInChI=1S/C16H16Cl2O2/c1-12(19-15-8-4-2-6-13(15)10-17)20-16-9-5-3-7-14(16)11-18/h2-9,12H,10-11H2,1H3
InChIKeyARUMLHVWILXQQA-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.97
Rot. Bonds6

About 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene

1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene (PubChem CID 141264907) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
PubChem CID141264907
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene
SMILESCC(Oc1ccccc1CCl)Oc1ccccc1CCl
InChIInChI=1S/C16H16Cl2O2/c1-12(19-15-8-4-2-6-13(15)10-17)20-16-9-5-3-7-14(16)11-18/h2-9,12H,10-11H2,1H3
InChIKeyARUMLHVWILXQQA-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
1-(1-methoxyethoxy)-2-propylbenzene
CID 173377858
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
2-bromo-1-(chloromethyl)-3-propan-2-yloxybenzene
CID 126987688
1-(2-bromoethoxy)-2-(chloromethyl)benzene
CID 155667771
1,3-bis[2-(chloromethyl)phenoxy]propan-2-ol
CID 11336770
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
1-(chloromethyl)-2-ethenoxybenzene
CID 154327624
[2-(chloromethyl)phenoxy]-tripropylsilane
CID 68531670
1-(chloromethyl)-2-(2-methoxyphenyl)sulfanylbenzene
CID 141087077
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene?
The IUPAC name of 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene (CID 141264907) is 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene is CC(Oc1ccccc1CCl)Oc1ccccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene?
The InChIKey is ARUMLHVWILXQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-12(19-15-8-4-2-6-13(15)10-17)20-16-9-5-3-7-14(16)11-18/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene?
1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene has a molecular weight of 311.21 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[1-[2-(chloromethyl)phenoxy]ethoxy]benzene is sourced from PubChem (CID 141264907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).